SCHEMBL10965632

SCHEMBL10965632

O=CC1(c2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.59
POLB P06746 1/20 0.58
OPRM1 P35372 1/20 0.55
CYP3A4 P08684 3/20 0.54
HSD17B10 Q99714 1/20 0.54
SIGMAR1 Q99720 7/20 0.53
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 3/20 0.50
CYP2C19 P33261 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2C9 P11712 2/20 0.50
CCR3 P51677 1/20 0.50
HIF1A Q16665 1/20 0.50
CYP2D6 P10635 3/20 0.49
TP53 P04637 2/20 0.48
CYP1A2 P05177 2/20 0.48
DRD2 P14416 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL15190527 0.91 CCR3 (0.63) OPRL1POLBOPRM1CYP3A4HSD17B10
SCHEMBL698466 0.86 ALDH1A1 (0.54) OPRL1POLBOPRM1CYP3A4SIGMAR1
SCHEMBL15190515 0.84 OPRL1 (0.47) OPRL1POLBOPRM1CYP3A4HSD17B10
SCHEMBL701015 0.83 OPRL1 (0.59) OPRL1POLBOPRM1SIGMAR1KMT2A
SCHEMBL13166827 0.81 CYP3A4 (0.59) OPRL1POLBOPRM1CYP3A4HSD17B10
SCHEMBL15430945 0.79 CYP3A4 (0.56) OPRL1POLBOPRM1CYP3A4HSD17B10
SCHEMBL18761020 0.79 OPRL1 (0.61) OPRL1POLBOPRM1CYP3A4HSD17B10
SCHEMBL31737430 0.79 OPRL1 (0.44) OPRL1POLBOPRM1CYP3A4HSD17B10
SCHEMBL8220836 0.78 OPRL1 (0.56) OPRL1POLBOPRM1CYP3A4HSD17B10
SCHEMBL31737166 0.78 KCNJ1 (0.44) OPRL1POLBOPRM1CYP3A4HSD17B10

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
EP-0070053-B1 NOVEL BICYCLIC PYRIMIDIN-5-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1986-04-16 EP disclosed