SCHEMBL8712547

SCHEMBL8712547

CCC1(CC)CCC(NCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.55
OPRL1 P41146 2/20 0.55
GRIN2B Q13224 3/20 0.49
ACHE P22303 3/20 0.45
BACE1 P56817 3/20 0.45
BCHE P06276 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
CCR2 P41597 1/20 0.43
FYN P06241 1/20 0.42
FABP6 P51161 1/20 0.41

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
SCHEMBL19567365 0.81 OPRM1 (0.52) OPRM1OPRL1GRIN2BACHEBACE1
SCHEMBL20781929 0.81 OPRM1 (0.52) OPRM1OPRL1GRIN2BACHEBACE1
SCHEMBL7213327 0.81 OPRM1 (0.57) OPRM1OPRL1GRIN2BACHEBACE1
SCHEMBL21744620 0.77 OPRM1 (0.65) OPRM1OPRL1GRIN2BACHEBACE1
SCHEMBL14067284 0.76 OPRM1 (0.56) OPRM1OPRL1GRIN2BACHEBACE1
Hydrochloric Acid SCHEMBL31629842 0.76 OPRM1 (0.66) OPRM1OPRL1GRIN2BACHEBACE1
SCHEMBL2376300 0.75 OPRM1 (0.51) OPRM1OPRL1GRIN2BACHEBACE1
SCHEMBL26347105 0.75 OPRM1 (0.51) OPRM1OPRL1GRIN2BACHEBACE1
SCHEMBL19567384 0.74 MEN1 (0.56) OPRM1OPRL1GRIN2BACHEBACE1
SCHEMBL19567709 0.74 MEN1 (0.56) OPRM1OPRL1GRIN2BACHEBACE1

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
WO-1998037068-A1 BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 WO disclosed