SCHEMBL9300969

SCHEMBL9300969

COc1ccc(C(=O)c2c(C)n(CCC3CCCN3C)c3ccc(F)cc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
PLK1 P53350 1/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
CNR2 P34972 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL8535050 0.98 CNR1 (0.47) CNR1PLK1TP53ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8535046 0.98 CNR1 (0.47) CNR1PLK1TP53ALDH1A1CYP1A2
SCHEMBL9303207 0.88 CNR1 (0.63) CNR1
SCHEMBL9301137 0.82 CNR2 (0.52) CNR1PLK1CNR2
SCHEMBL9301997 0.80 CNR1 (0.62) CNR1
Hydrochloric Acid SCHEMBL8583401 0.79 CNR1 (0.61) CNR1
SCHEMBL9036173 0.79 KDM4E (0.53) CNR1TP53ALDH1A1CYP1A2CYP3A4
SCHEMBL9036908 0.79 KDM4E (0.53) CNR1TP53ALDH1A1CYP1A2CYP3A4
SCHEMBL10741477 0.79 KDM4E (0.53) CNR1TP53ALDH1A1CYP1A2CYP3A4
SCHEMBL9691642 0.78 CNR1 (0.49) CNR1TP53ALDH1A1CYP1A2CYP3A4

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
US-5324737-A Analgesics, antirheumatic and antiinflammatory agents, glaucoma STERLING WINTHROP INC. (US) 1994-06-28 US claimed
US-5276153-A Antagonist of platelet activating factor for bronchodilation BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-01-04 US disclosed