SCHEMBL31455232

SCHEMBL31455232

CN(CCc1ccc(N)cc1)[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.41
CHIA Q9BZP6 9/20 0.40
GRIN2B Q13224 2/20 0.40
CHIT1 Q13231 8/20 0.40
AGTR2 P50052 1/20 0.40
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CHI3L1 P36222 1/20 0.39
CHI3L2 Q15782 1/20 0.39
HTR2A P28223 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL31455533 0.85 ALDH1A1 (0.39) CHIAGRIN2BCHIT1AGTR2SIGMAR1
SCHEMBL5212497 0.79 HRH3 (0.51) CHIAGRIN2BCHIT1SLC18A3SIGMAR1
SCHEMBL3075455 0.77 CHIA (0.43) CHIAGRIN2BCHIT1SIGMAR1CHI3L1
SCHEMBL27817743 0.74 HTR2A (0.49) CHIAGRIN2BCHIT1SLC18A3CHI3L1
SCHEMBL7472599 0.74 L3MBTL3 (0.52) CHIA
SCHEMBL1967143 0.73 GRIN2B (0.63) CHIAGRIN2BSLC18A3SIGMAR1HTR2A
SCHEMBL9451529 0.73 CHIA (0.54) CHIACHIT1SIGMAR1
SCHEMBL8199191 0.73 CHRM2 (0.38) CHIAGRIN2BAGTR2SLC18A3SIGMAR1
SCHEMBL31455649 0.72 HRH4 (0.38) TAS2R14GRIN2B
SCHEMBL4802898 0.72 GFER (0.48) SIGMAR1

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed