SCHEMBL7974626

SCHEMBL7974626

C=CCOc1ccc(Br)cc1CN(CC)c1ccc(C(=O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.42
RXRA P19793 9/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GBA1 P04062 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
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
SCHEMBL7979349 0.90 HCAR3 (0.44) HCAR3RXRAMAPTGBA1PPARG
SCHEMBL7803954 0.90 MEN1 (0.44) HCAR3MEN1KMT2AHTTMAPK1
SCHEMBL7963017 0.89 HCAR3 (0.45) HCAR3RXRAGBA1PPARG
SCHEMBL7963014 0.89 HCAR3 (0.45) HCAR3RXRAGBA1PPARG
SCHEMBL7976850 0.89 RXRA (0.54) HCAR3RXRAGBA1PPARG
SCHEMBL7672615 0.87 HCAR3 (0.51) HCAR3RXRAMAPTSMN1; SMN2GBA1
SCHEMBL7810643 0.86 RXRA (0.53) HCAR3RXRAGBA1PPARG
SCHEMBL7973303 0.85 HCAR3 (0.43) HCAR3RXRAGBA1PPARG
SCHEMBL27430043 0.85 KMT2A (0.43) MEN1KMT2AHTTMAPK1POLB
SCHEMBL7974544 0.85 HCAR3 (0.45) HCAR3RXRAGBA1PPARG

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 1 patent. 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