SCHEMBL16612546

SCHEMBL16612546

CC1(C)CC2(CCC1NCc1ccccc1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
OPRL1 P41146 2/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
GRIN2B Q13224 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35

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
SCHEMBL784990 0.85 SMN1; SMN2 (0.43) CYP2C19SMN1; SMN2
SCHEMBL803482 0.77 OPRM1 (0.56) OPRM1OPRL1GRIN2BTMEM97
SCHEMBL31682505 0.75 GRIN2B (0.44) OPRM1OPRL1SIGMAR1GRIN2BSMN1; SMN2
SCHEMBL15564665 0.73 CYP2C9 (0.48) OPRM1OPRL1CYP2C9CYP2C19SIGMAR1
SCHEMBL13819197 0.73 FUCA1 (0.45) OPRM1OPRL1SIGMAR1GRIN2B
SCHEMBL30532010 0.73 FUCA1 (0.45) OPRM1OPRL1SIGMAR1GRIN2B
SCHEMBL17652148 0.73 FUCA1 (0.45) OPRM1OPRL1SIGMAR1GRIN2B
SCHEMBL3507722 0.73 FUCA1 (0.45) OPRM1OPRL1SIGMAR1GRIN2B
SCHEMBL26319083 0.73 FUCA1 (0.45) OPRM1OPRL1SIGMAR1GRIN2B
SCHEMBL13622714 0.72 GRIN2B (0.45) OPRM1OPRL1SIGMAR1GRIN2BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed