SCHEMBL6209365

SCHEMBL6209365

CN(Cc1ccc(-c2ccccc2C(F)(F)F)cc1F)Cc1cccc(CO)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.43
▸ TACR1 P25103 1/20 0.42
▸ S1PR1 P21453 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ LTB4R2 Q9NPC1 1/20 0.37
▸ OPRD1 P41143 1/20 0.36
▸ AR P10275 1/20 0.36
▸ PRMT3 O60678 1/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36

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
SCHEMBL5964584 0.77 CNR2 (0.71) CNR2TACR1S1PR1ALDH1A1USP2
SCHEMBL5964191 0.76 CNR2 (0.54) CNR2TACR1S1PR1ALDH1A1USP2
SCHEMBL5964318 0.74 CNR2 (0.60) CNR2S1PR1ALDH1A1USP2CYP1A2
SCHEMBL5964494 0.74 KMT2A (0.45) CNR2S1PR1ALDH1A1MAPK1ALOX5AP
SCHEMBL1607338 0.67 AKR1B1 (0.42) PDK2
SCHEMBL6048540 0.66 CYP2D6 (0.45) TACR1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL22304414 0.65 AR (0.58) CNR2ALDH1A1USP2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6048557 0.65 CYP2D6 (0.44) TACR1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8184119 0.64 KIF11 (0.54) CNR2ALDH1A1TSHRARPDK2
SCHEMBL24297565 0.63 AR (0.56) CNR2ALDH1A1USP2CYP1A2CYP3A4

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
EP-1594856-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2005-11-16 — — EP claimed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 — — WO claimed
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