SCHEMBL29079652

SCHEMBL29079652

c1ccc(COC2CC(OC3CCNCC3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.52
SLC6A4 P31645 6/20 0.52
SLC6A3 Q01959 6/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52
HTR3A P46098 1/20 0.52
HTR4 Q13639 1/20 0.52
HRH1 P35367 3/20 0.48
KCNH2 Q12809 2/20 0.47
HTR1A P08908 3/20 0.46
GBA1 P04062 1/20 0.45
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
NMT1 P30419 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL21673506 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL29284943 0.89 CTSL (0.47) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL902002 0.87 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
Hydrochloric Acid SCHEMBL1532893 0.85 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL21028919 0.84 CTSL (0.47) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL27691003 0.81 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL31662687 0.81 CTSL (0.42) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL21493566 0.81 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL20133258 0.80 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL943620 0.80 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116648248-B Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2025-04-15 CN disclosed
CN-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 CN disclosed
WO-2022161414-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATION THEREOF 成都茵创园医药科技有限公司 2022-08-04 WO disclosed