SCHEMBL6954387

SCHEMBL6954387

CCCN(C)C(=O)Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 3/20 0.40

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
SCHEMBL6954712 0.92 CNR1 (0.42) CNR1TP53ALOX15
SCHEMBL6950436 0.89 KDM4E (0.41) CNR1TP53ALOX15
SCHEMBL6954685 0.87 MEN1 (0.43) CNR1TP53ALOX15
SCHEMBL6948046 0.86 CNR1 (0.43) CNR1TP53ALOX15
SCHEMBL6950527 0.86 MEN1 (0.42) CNR1TP53ALOX15
SCHEMBL7505102 0.84 ALDH1A1 (0.51) CNR1TP53ALOX15
SCHEMBL6951194 0.83 RAB9A (0.44) TP53ALOX15
SCHEMBL7509254 0.83 ALDH1A1 (0.49) CNR1ALOX15
SCHEMBL7503731 0.83 KDM4E (0.50) CNR1TP53ALOX15
SCHEMBL7512358 0.82 ALOX15 (0.43) CNR1TP53ALOX15

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985666-B1 Substituted indole compounds as COX-2 inhibitors PFIZER (US) 2003-11-05 EP claimed
US-6277878-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS PFIZER INC 2001-08-21 US claimed
EP-0985666-A1 Substituted indole compounds as COX-2 inhibitors PFIZER INC. (US) 2000-03-15 EP claimed
EP-0985666-B1 Substituted indole compounds as COX-2 inhibitors PFIZER (US) 2003-11-05 EP disclosed
US-6277878-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS PFIZER INC 2001-08-21 US disclosed
EP-0985666-A1 Substituted indole compounds as COX-2 inhibitors PFIZER INC. (US) 2000-03-15 EP disclosed