SCHEMBL31346243

SCHEMBL31346243

CC(C)(C)OC(=O)N1CC=C(c2ccnc(N3CCC(F)(F)CC3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 10/20 0.49
GRM5 P41594 10/20 0.49
NAMPT P43490 1/20 0.45
WNT3A P56704 1/20 0.44
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
PDE10A Q9Y233 1/20 0.44
CYP11B2 P19099 1/20 0.43
PDK4 Q16654 1/20 0.43
CDK7 P50613 1/20 0.43
CDK13 Q14004 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
SOS1 Q07889 1/20 0.42

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
SCHEMBL25319723 0.89 GRM1 (0.53) GRM1GRM5NAMPTWNT3ACDK9
SCHEMBL171730 0.80 WNT3A (0.61) GRM1GRM5NAMPTWNT3ACDK9
SCHEMBL31227073 0.80 WNT3A (0.61) GRM1GRM5NAMPTWNT3ACDK9
SCHEMBL29580742 0.79 GRM1 (0.52) GRM1GRM5NAMPTWNT3ACDK9
SCHEMBL22324775 0.79 GRM1 (0.52) GRM1GRM5NAMPTWNT3ACDK9
SCHEMBL31336142 0.79 GRM5 (0.51) GRM1GRM5NAMPTWNT3ACDK9
SCHEMBL30796705 0.79 GRM1 (0.51) GRM1GRM5NAMPTWNT3ACDK9
SCHEMBL17478211 0.79 GRM1 (0.52) GRM1GRM5NAMPTWNT3ACDK9
SCHEMBL27461432 0.79 GRM1 (0.51) GRM1GRM5NAMPTWNT3ACDK9
SCHEMBL8512618 0.79 GRM5 (0.51) GRM1GRM5NAMPTWNT3ACDK9

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-119317620-A Azacycloalkyl carbonyl cyclic amine compounds 亚力维克希斯股份有限公司 2025-01-14 CN disclosed