SCHEMBL8328994

SCHEMBL8328994

Fc1cc(C2CC2)ccc1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.46
KMO O15229 1/20 0.42
ACMSD Q8TDX5 2/20 0.41
BACE1 P56817 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
EPHX2 P34913 1/20 0.39
HTR1D P28221 1/20 0.38
PDK2 Q15119 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL18411544 0.93 OPRL1 (0.42) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL18458718 0.93 OPRL1 (0.42) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL10043332 0.89 OPRL1 (0.39) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL19500489 0.87 OPRL1 (0.39) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL18458714 0.87 ESR2 (0.40) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL19159768 0.87 OPRL1 (0.39) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL10043153 0.87 OPRL1 (0.41) OPRL1KMOACMSD
SCHEMBL10043143 0.85 OPRL1 (0.39) OPRL1KMOACMSDBACE1HDAC4
SCHEMBL18558911 0.84 ESR2 (0.40) OPRL1KMOACMSDBACE1CYP3A4
SCHEMBL18900740 0.84 OPRL1 (0.39) OPRL1KMOACMSDBACE1EPHX2

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-0917464-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1999-05-26 EP disclosed
WO-1998004251-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1998-02-05 WO disclosed