SCHEMBL30872145

SCHEMBL30872145

CC1(NCc2cccc(F)c2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.46
TRPA1 O75762 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAAR1 Q96RJ0 3/20 0.44
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
OPRL1 P41146 3/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL11039283 0.79 CYP3A4 (0.43) SSTR3THRBSMN1; SMN2OPRL1OPRM1
Bromide SCHEMBL11037477 0.78 CYP3A4 (0.42) SSTR3THRBSMN1; SMN2OPRL1OPRM1
SCHEMBL19510352 0.77 CYP2C19 (0.47) TAAR1LMNASIGMAR1SMN1; SMN2KDM1A
SCHEMBL27800697 0.75 CYP3A4 (0.43) SSTR3THRBOPRL1OPRM1
SCHEMBL27893441 0.74 KDM4E (0.42) SSTR3THRBOPRL1SLC6A4
SCHEMBL20819627 0.72 SLC6A2 (0.43) SLC6A3SLC6A2DRD3SLC6A4
SCHEMBL20819639 0.72 SLC6A2 (0.43) SLC6A3SLC6A2DRD3SLC6A4
SCHEMBL30009921 0.71 TAAR1 (0.66) TAAR1CARM1PRMT6SCN8A
SCHEMBL159689 0.71 TAAR1 (0.66) TAAR1CARM1PRMT6SCN8A
SCHEMBL27890446 0.71 CYP3A4 (0.46) THRBSIGMAR1SMN1; SMN2OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940404-A Tricyclic compounds as Cbl-b inhibitors 海南先声再明医药股份有限公司 2024-04-26 CN disclosed