SCHEMBL30969256

SCHEMBL30969256

CN1CCC[C@H]1CNc1ccc(C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.45
CHRNB2 P17787 5/20 0.45
CHRNA4 P43681 5/20 0.45
CHRNA7 P36544 4/20 0.45
CHRNA5 P30532 2/20 0.45
L3MBTL3 Q96JM7 1/20 0.42
IKBKB O14920 1/20 0.41
MCHR1 Q99705 3/20 0.40
MCHR2 Q969V1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL30969215 0.84 ALDH1A1 (0.57) MCHR1MCHR2ALDH1A1GAARAB9A
SCHEMBL30969278 0.84 ALDH1A1 (0.57) MCHR1MCHR2ALDH1A1GAARAB9A
SCHEMBL30969229 0.79 VNN1 (0.45) KAT2BCHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL2267302 0.79 CHRNB2 (0.50) KAT2BCHRNB2CHRNA4CHRNA7NPC1
SCHEMBL2267304 0.79 CHRNB2 (0.50) KAT2BCHRNB2CHRNA4CHRNA7NPC1
SCHEMBL4443892 0.78 KAT2B (0.56) KAT2BCHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL7106481 0.78 KAT2B (0.56) KAT2BCHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL13162978 0.78 KAT2B (0.56) KAT2BCHRNB2CHRNA4CHRNA7CHRNA5
SCHEMBL13746889 0.74 HSD17B10 (0.52) CHRNB2CHRNA4CHRNA7CHRNA5IKBKB
SCHEMBL21637875 0.72 IKBKB (0.49) CHRNB2CHRNA4CHRNA7CHRNA5IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642766-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-11-05 EP disclosed
WO-2024145585-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-04 WO disclosed