SCHEMBL3368388

SCHEMBL3368388

CCCC(N[C]=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.42
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TACR3 P29371 1/20 0.39
USP9X Q93008 2/20 0.38
UCHL1 P09936 1/20 0.38
USP5 P45974 1/20 0.38
RPS6KB1 P23443 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RIPK1 Q13546 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
MTNR1A P48039 1/20 0.36

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
SCHEMBL8701351 0.89 POLB (0.45) MAPTTACR3POLBKDM4EALDH1A1
SCHEMBL8697744 0.88 TACR3 (0.42) TACR3SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL5640387 0.85 LMNA (0.46) POLBKDM4EALDH1A1LMNAHPGD
SCHEMBL3627493 0.81 AOC3 (0.42) AOC3MAPTHTTTACR3USP9X
SCHEMBL4321786 0.80 ACP3 (0.45) HTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL11638197 0.78 AOC3 (0.48) AOC3MAPTHTTTACR3RPS6KB1
SCHEMBL7618364 0.78 ALDH1A1 (0.53) AOC3POLBALDH1A1LMNATSHR
SCHEMBL28866374 0.77 SMN1; SMN2 (0.36) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL16935664 0.77 TAAR1 (0.46) TACR3RPS6KB1HTR2AHRH1
SCHEMBL4574134 0.77 RIPK1 (0.46) RPS6KB1RIPK1GPR88

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188295-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Crystalgenomics, Inc. (KR) 2010-05-26 EP disclosed
EP-2155747-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS Acadia Pharmaceuticals Inc. (US) 2010-02-24 EP disclosed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed
WO-2009037570-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2009-03-26 WO disclosed
WO-2008141249-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-11-20 WO disclosed
WO-2008141239-A1 IMIDAZOL [1,2-A] PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-11-20 WO disclosed
WO-2008064136-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-05-29 WO disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
EP-0877775-A2 ACID DISAZO DYES AS WELL AS SULPHONAMIDES AS THEIR INTERMEDIATE PRODUCT BASF AKTIENGESELLSCHAFT (DE) 1998-11-18 EP disclosed
US-5834460-A FOR TREATMENT OF BRAIN OR PSYCHOLOGICAL DISORDERS, ALZHEIMER*S DISEASE, MENTAL RETARDATION OR AUTISM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
WO-1997027248-A2 ACID DISAZO DYES AS WELL AS SULPHONAMIDES AS THEIR INTERMEDIATE PRODUCT BASF AKTIENGESELLSCHAFT (DE) 1997-07-31 WO disclosed
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed