SCHEMBL31430188

SCHEMBL31430188

CN1CCC(NC(=O)C2(c3ccc(Br)cc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.58
FPR3 P25089 1/20 0.51
SSTR4 P31391 4/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
EPHX2 P34913 1/20 0.41
KDM5A P29375 1/20 0.40
SSTR1 P30872 1/20 0.40
P2RX4 Q99571 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL4963897 0.76 RET (0.43) ALDH1A1
SCHEMBL20551505 0.76 NPSR1 (0.54) FPR2FPR3ALDH1A1
SCHEMBL24381938 0.73 MEN1 (0.74) FPR2FPR3ALDH1A1MEN1KMT2A
SCHEMBL25975350 0.72 OPRM1 (0.44) SSTR4ALDH1A1KDM5ASSTR1
SCHEMBL10112759 0.71 OPRM1 (0.47) ALDH1A1
SCHEMBL15484022 0.70 HDAC1 (0.49) ALDH1A1HDAC1
SCHEMBL4966815 0.69 ALDH1A1 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL31759471 0.69 KDM5A (0.38) FPR2FPR3ALDH1A1KDM5AHDAC1
SCHEMBL31759476 0.69 KDM5A (0.38) FPR2FPR3ALDH1A1KDM5AHDAC1
SCHEMBL25464185 0.69 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AEPHX2HDAC1

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-119462695-A Pyridine derivative and application thereof 康百达(四川)生物医药科技有限公司 2025-02-18 CN disclosed