SCHEMBL31458641

SCHEMBL31458641

CCC(CCC1CCNCC1)C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 3/20 0.36
GNAI3 P08754 2/20 0.32
GNAI1 P63096 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL13259736 0.82 CPN1 (0.33) GNAO1GNAI3GNAI1CPN1CPB2
SCHEMBL4745176 0.81 SHBG (0.33)
SCHEMBL10272804 0.81 CPN1 (0.38) GNAO1GNAI3GNAI1CPN1CPB2
SCHEMBL5497752 0.81 HRH3 (0.31) HRH3CPN1CPB2CHRM1CHRM3
SCHEMBL4870028 0.79 HRH3 (0.30) HRH3CPN1CPB2
SCHEMBL18600333 0.78
SCHEMBL13825689 0.78 GNAO1 (0.38) GNAO1GNAI3GNAI1CPN1CPB2
SCHEMBL20935045 0.78 CPN1 (0.32) CPN1CPB2
SCHEMBL24261234 0.78 GNAO1 (0.39) GNAO1GNAI3GNAI1HRH3CPN1
SCHEMBL9383869 0.76 GNAO1 (0.38) GNAO1GNAI3GNAI1HRH3CPN1

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
CN-119661420-A Initiator, double-end functionalized poly conjugated diene liquid rubber and preparation thereof 中国石油天然气股份有限公司 2025-03-21 CN claimed
CN-119661420-A Initiator, double-end functionalized poly conjugated diene liquid rubber and preparation thereof 中国石油天然气股份有限公司 2025-03-21 CN disclosed