SCHEMBL31455649

SCHEMBL31455649

Cc1cc(CN(C)[C@H]2CC[C@H](C(=O)O)CC2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TAS2R14 Q9NYV8 5/20 0.38
SKP2 Q13309 1/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GNRHR P30968 1/20 0.35
GAA P10253 1/20 0.35
OPRM1 P35372 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
GRIN2B Q13224 1/20 0.34

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
SCHEMBL31455034 0.86 ALDH1A1 (0.39) HRH4HRH3SKP2MEN1KMT2A
SCHEMBL31454995 0.86 TAS2R14 (0.39) HRH4HRH3TAS2R14MEN1KMT2A
SCHEMBL31455403 0.86 TAS2R14 (0.39) HRH4HRH3TAS2R14MEN1KMT2A
SCHEMBL29173102 0.78 MEN1 (0.51) HRH4HRH3TAS2R14MEN1KMT2A
SCHEMBL29173109 0.74 TAS2R14 (0.38) HRH4HRH3TAS2R14MEN1KMT2A
SCHEMBL31455549 0.73 ALDH1A1 (0.36) HRH4HRH3MEN1KMT2AGNRHR
SCHEMBL31455336 0.73 ALDH1A1 (0.36) HRH4HRH3MEN1KMT2AGNRHR
SCHEMBL4517897 0.73 HRH3 (0.47) HRH4HRH3MEN1KMT2ALMNA
SCHEMBL31455232 0.72 TAS2R14 (0.41) TAS2R14GRIN2B
SCHEMBL14938637 0.69 SKP2 (0.53) HRH3SKP2LMNAGAAALDH1A1

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