SCHEMBL8868035

SCHEMBL8868035

CCNC(=O)Nc1ccc(CC[O])cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.53
NPC1 O15118 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
S1PR1 P21453 1/20 0.50
GHSR Q92847 1/20 0.48
FPR2 P25090 3/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.46

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
SCHEMBL8869271 0.87 MEN1 (0.59) CNR1NPC1S1PR1GHSRFPR2
SCHEMBL8868038 0.86 CNR1 (0.53) CNR1NPC1HRH3S1PR1GHSR
SCHEMBL23560422 0.85 MTNR1B (0.57) CNR1NPC1GHSRMTNR1BALDH1A1
SCHEMBL17976400 0.85 GHSR (0.55) CNR1NPC1HRH3S1PR1GHSR
SCHEMBL8866863 0.84 S1PR1 (0.63) CNR1NPC1S1PR1GHSRALDH1A1
SCHEMBL13179122 0.84 RAB9A (0.64) NPC1RAB9A
SCHEMBL8867169 0.83 CNR1 (0.57) CNR1NPC1HRH3FPR2RAB9A
SCHEMBL8866937 0.82 ALDH1A1 (0.56) CNR1NPC1HRH3ALDH1A1RAB9A
SCHEMBL13267749 0.82 S1PR1 (0.72) S1PR1
SCHEMBL27855959 0.82 S1PR1 (0.72) S1PR1

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
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed