SCHEMBL7810643

SCHEMBL7810643

C=C(C)COc1ccc(Br)cc1CN(CC)c1ccc(C(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.53
HCAR3 P49019 2/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.40
GBA1 P04062 1/20 0.40
PPARG P37231 1/20 0.38

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
SCHEMBL7810595 0.91 HCAR3 (0.45) RXRAHCAR3PTGDR2GBA1PPARG
SCHEMBL7974541 0.89 HCAR3 (0.45) RXRAHCAR3PTGDR2GBA1PPARG
SCHEMBL7974544 0.89 HCAR3 (0.45) RXRAHCAR3PTGDR2GBA1PPARG
SCHEMBL7976850 0.87 RXRA (0.54) RXRAHCAR3PTGDR2GBA1PPARG
SCHEMBL7672615 0.87 HCAR3 (0.51) RXRAHCAR3GBA1PPARG
SCHEMBL7963005 0.86 HCAR3 (0.44) RXRAHCAR3PTGDR2GBA1PPARG
SCHEMBL7963001 0.86 HCAR3 (0.44) RXRAHCAR3PTGDR2GBA1PPARG
SCHEMBL7963047 0.86 HCAR3 (0.44) RXRAHCAR3PTGDR2GBA1PPARG
SCHEMBL7974626 0.86 HCAR3 (0.46) RXRAHCAR3GBA1PPARG
SCHEMBL8703967 0.85 CCR5 (0.48) RXRAHCAR3

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
US-6313148-B1 FOR THERAPY OF PAIN PAIN ASSOCIATED WITH JOINT CONDITIONS SUCH AS RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS, POSTOPERATIVE PAIN, POST-PARTUM PAIN, THE PAIN ASSOCIATED WITH DENTAL CONDITIONS SUCH AS DENTAL CARIES AND GINGIVITIS ZENECA LIMITED (GB) 2001-11-06 US claimed
EP-0847391-B1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-12-19 EP disclosed
US-6313148-B1 FOR THERAPY OF PAIN PAIN ASSOCIATED WITH JOINT CONDITIONS SUCH AS RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS, POSTOPERATIVE PAIN, POST-PARTUM PAIN, THE PAIN ASSOCIATED WITH DENTAL CONDITIONS SUCH AS DENTAL CARIES AND GINGIVITIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
US-6100258-A 6-(N-(5-BROMO-2-(2-METHYLPROP-2-EN-1-YLOXY)BENZYL)-N -ETHYLAMINO)-PYRIDAZIN-3-YLCARBOXYLIC ACID, AND OTHER 3,6-DISUBSTITUTED PYRIDAZINE DERIVATIVES OF SPECIFIED FORMULA; RELIEVING PAIN ZENECA LIMITED (GB) 2000-08-08 US disclosed
EP-0847391-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-06-17 EP disclosed
WO-1997000864-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO disclosed