SCHEMBL31458643

SCHEMBL31458643

CC(CCC1CCNCC1)C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 3/20 0.34
HRH3 Q9Y5N1 2/20 0.33
CPN1 P15169 2/20 0.32
CPB2 Q96IY4 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
F2R P25116 1/20 0.31
GBA1 P04062 1/20 0.31
GNAI3 P08754 2/20 0.30
GNAI1 P63096 2/20 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
SCHEMBL104444 0.80 GNAO1 (0.37) GNAO1HRH3CPN1CPB2SLC6A2
SCHEMBL1554342 0.80 MAPT (0.32)
Hydrochloric Acid SCHEMBL30006594 0.78 GNAO1 (0.40) GNAO1HRH3CPN1CPB2SLC6A2
SCHEMBL20621500 0.78 CPN1 (0.34) GNAO1CPN1CPB2SLC6A2SLC6A4
SCHEMBL11503453 0.78 CPN1 (0.40) GNAO1CPN1CPB2SLC6A2SLC6A4
SCHEMBL1829060 0.77 DPP4 (0.35) CPN1CPB2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL28724091 0.77 GNAO1 (0.36) GNAO1CPN1CPB2SLC6A2SLC6A4
SCHEMBL149436 0.77 CPN1 (0.37) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL149437 0.77 CPN1 (0.37) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL31458641 0.76 GNAO1 (0.36) GNAO1HRH3CPN1CPB2CHRM1

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