SCHEMBL8795608

SCHEMBL8795608

Oc1cc(I)ccc1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.36
CXCR3 P49682 4/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ERN1 O75460 1/20 0.32
SCN5A Q14524 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL8796193 0.86 CXCR3 (0.36) SCN9ACXCR3TP53CYP1A2CYP3A4
SCHEMBL4614199 0.77 SCN9A (0.35) SCN9ASCN5AMEN1POLBGAA
SCHEMBL8796050 0.75 CYP3A4 (0.35) SCN9ACXCR3TP53CYP1A2CYP3A4
SCHEMBL345589 0.73 HTR2A (0.42) SCN9ACYP3A4MEN1POLBGAA
SCHEMBL16516779 0.71 CYP3A4 (0.37) CXCR3CYP3A4CYP2C19
SCHEMBL16046506 0.70 CHRNB2 (0.38) SCN9AMEN1POLBGAAKMT2A
SCHEMBL2710155 0.69 G6PD (0.36) SCN9AMEN1GAAKMT2A
SCHEMBL22321085 0.69 MEN1 (0.41) SCN9AMEN1POLBGAAKMT2A
SCHEMBL4614491 0.69 SCN9A (0.34) SCN9AMEN1POLBGAAKMT2A
SCHEMBL27199179 0.69 SCN9A (0.34) SCN9ATP53CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664282-B1 Biaryl phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-10-22 EP disclosed
EP-0629604-B1 Alicyclic phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP disclosed
EP-0664282-A1 Biaryl phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-26 EP disclosed
US-5436369-A Alicyclic phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US disclosed
CN-1099380-A Alicyclic phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1995-03-01 CN disclosed
US-5391817-A Antiinflammatory agents BRISTOL-MYERS SQUIBB (US) 1995-02-21 US disclosed
EP-0629604-A2 Alicyclic phospholipase A2 inhibitors Bristol-Myers Company (US) 1994-12-21 EP disclosed