SCHEMBL18560414

SCHEMBL18560414

Cc1cc(CCC(N)=O)nn1Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 20/20 0.67
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL3433815 0.92 PTGER1 (0.64) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL3434489 0.91 PTGER1 (0.61) PTGER1
SCHEMBL3433669 0.90 PTGER1 (0.62) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL3435608 0.86 PTGER1 (0.61) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL255383 0.85 PTGER1 (0.56) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL255384 0.85 PTGER1 (0.56) PTGER1
SCHEMBL14956245 0.85 PTGER1 (0.59) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL14956294 0.84 PTGER1 (0.59) PTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL252051 0.83 PTGER1 (0.55) PTGER1CYP2C9
SCHEMBL14956268 0.83 PTGER1 (0.61) PTGER1

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-2945932-B1 COMPOUNDS ACT AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN INC (US) 2018-11-21 EP claimed
EP-2588459-B1 COMPOUNDS ACT AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN INC (US) 2017-03-01 EP disclosed