SCHEMBL24880321

SCHEMBL24880321

CCCn1cc(C)nc1CCN

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.36
CYP19A1 P11511 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
MTOR P42345 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SPNS2 Q8IVW8 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM5 P41594 1/20 0.33
TYR P14679 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL9645498 0.81 CYP19A1 (0.45) PDE10ACYP19A1TSHRGRM5TYR
SCHEMBL3868934 0.79 SPNS2 (0.49) TSHRSPNS2TDP1
SCHEMBL27867153 0.79 SPNS2 (0.39) CYP19A1SPNS2
SCHEMBL585669 0.78 CYP19A1 (0.43) CYP19A1TSHR
SCHEMBL27850127 0.76 SPNS2 (0.46) TSHRSPNS2TDP1
SCHEMBL27850152 0.76 SPNS2 (0.46) TSHRSPNS2TDP1
SCHEMBL27850239 0.76 SPNS2 (0.46) TSHRSPNS2TDP1
SCHEMBL27850112 0.76 SPNS2 (0.46) TSHRSPNS2TDP1
SCHEMBL28794303 0.76 SPNS2 (0.46) TSHRSPNS2TDP1
SCHEMBL27850106 0.76 SPNS2 (0.46) TSHRSPNS2TDP1

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
WO-2023280254-A1 TEAD INHIBITOR 武汉人福创新药物研发中心有限公司 2023-01-12 WO disclosed