SCHEMBL4773075

SCHEMBL4773075

NCC(N)C(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.56
HTR2A P28223 2/20 0.56
TACR1 P25103 3/20 0.52
DPP4 P27487 2/20 0.48
F2 P00734 1/20 0.48
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
HRH1 P35367 1/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL28410804 0.98 TAAR1 (0.54) TAAR1HTR2ATACR1DPP4F2
SCHEMBL28789463 0.86 TAAR1 (0.52) TAAR1HTR2ATACR1DPP4F2
SCHEMBL3640948 0.80 DPP4 (0.62) TAAR1HTR2ADPP4F2CHRNB2
SCHEMBL16496872 0.78 TACR1 (0.50) TAAR1HTR2ATACR1DPP4F2
SCHEMBL2126865 0.78 TACR1 (0.50) TAAR1HTR2ATACR1DPP4F2
SCHEMBL2126869 0.78 TACR1 (0.50) TAAR1HTR2ATACR1DPP4F2
SCHEMBL29006641 0.78 HRH1 (0.63) TAAR1HTR2ATACR1DPP4F2
SCHEMBL156218 0.76 SLC6A2 (0.61) TAAR1HTR2ADPP4SLC6A2SLC6A4
SCHEMBL3927827 0.76 TAAR1 (0.58) TAAR1HTR2ADPP4F2CHRNB2
SCHEMBL5872302 0.76 TACR1 (0.58) TAAR1TACR1SLC6A2SLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 217 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164526-A 2- (piperazine-2-yl) acetonitrile derivative, and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2023-12-05 CN claimed
WO-2023226900-A1 2-(PIPERAZINE-2-YL) ACETONITRILE DERIVATIVE, PREPARATION METHOD FOR, AND USE THEREOF 苏州泽璟生物制药股份有限公司 2023-11-30 WO claimed
CN-117043216-A Adducts of alkylated diamines with novolak epoxy resins SIKA技术股份公司 2023-11-10 CN claimed
CN-114634818-B Benzyl Gemini surfactant and preparation method thereof 福州大学 2023-01-10 CN claimed
CN-114634818-A Benzyl Gemini surfactant and preparation method thereof 福州大学 2022-06-17 CN claimed
CN-118121552-A Injectable pharmaceutical composition and preparation method and application thereof 浙江萃泽医药科技有限公司 2024-06-04 CN disclosed
CN-110869346-B Inhibitors of plasminogen activator inhibitor-1 (PAI-1) and methods of use 密歇根大学董事会 2024-03-29 CN disclosed
CN-112673042-B Accelerators for curing epoxy resins containing alkylated amines SIKA技术股份公司 2024-03-22 CN disclosed
CN-117164526-A 2- (piperazine-2-yl) acetonitrile derivative, and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2023-12-05 CN disclosed
WO-2023226900-A1 2-(PIPERAZINE-2-YL) ACETONITRILE DERIVATIVE, PREPARATION METHOD FOR, AND USE THEREOF 苏州泽璟生物制药股份有限公司 2023-11-30 WO disclosed
CN-115844838-B Injectable pharmaceutical composition 浙江萃泽医药科技有限公司 2023-10-24 CN disclosed
CN-112789308-B Curing agent for epoxy resins SIKA技术股份公司 2023-09-15 CN disclosed
CN-1440383-A PPAR gamma modulators SANKYO CO (JP) 2003-09-03 CN disclosed
CN-1419448-A Remedies TAKARA BIO INC (JP) 2003-05-21 CN disclosed
CN-1404829-A Double inhibitor synthesized by wax ester and cholesterol ester for inbibiting generation of sebum WARNER LAMBERT CO (US) 2003-03-26 CN disclosed
CN-1376161-A Novel bicyclic nucleoside analogues SANKYO CO (JP) 2002-10-23 CN disclosed
CN-1370079-A Remedies for skin ulcer FUJISAWA PHARMACEUTICAL CO (JP) 2002-09-18 CN disclosed
CN-1347418-A Novel nucleosides and oligonucleotide analogues SANKYO CO (JP) 2002-05-01 CN disclosed
CN-1284878-A Drugs augmenting NKT cells FUJISAWA PHARMACEUTICAL CO (JP) 2001-02-21 CN disclosed
CN-1226555-A Antifungal agent, and preparation method and intermediate thereof 1999-08-25 CN disclosed