SCHEMBL6792238

SCHEMBL6792238

CC(=O)Nc1cc(F)c(F)cc1OC[C@@H](O)CN1CCC(n2c(=O)[nH]c3ccc(F)cc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.53
PLD2 O14939 10/20 0.52
PLD1 Q13393 10/20 0.52
CTSS P25774 1/20 0.48
CCR1 P32246 4/20 0.46
CHRM1 P11229 1/20 0.45
OPRM1 P35372 2/20 0.43

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
SCHEMBL4807222 0.94 PLD2 (0.56) OPRL1PLD2PLD1CCR1CHRM1
SCHEMBL4807214 0.94 PLD2 (0.56) OPRL1PLD2PLD1CCR1CHRM1
SCHEMBL11648606 0.88 OPRL1 (0.63) OPRL1PLD2PLD1CCR1CHRM1
SCHEMBL6697552 0.87 PLD2 (0.57) OPRL1PLD2PLD1CCR1CHRM1
SCHEMBL4805878 0.87 PLD2 (0.57) OPRL1PLD2PLD1CCR1CHRM1
SCHEMBL4805869 0.87 PLD2 (0.57) OPRL1PLD2PLD1CCR1CHRM1
SCHEMBL4808944 0.85 OPRL1 (0.57) OPRL1PLD2PLD1CCR1CHRM1
SCHEMBL4809038 0.85 CCR1 (0.55) OPRL1PLD2PLD1CCR1OPRM1
SCHEMBL4809028 0.85 CCR1 (0.55) OPRL1PLD2PLD1CCR1OPRM1
Hydrochloric Acid SCHEMBL4805706 0.84 OPRL1 (0.56) OPRL1PLD2PLD1CCR1CHRM1

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
US-20040116435-A1 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2004-06-17 US disclosed