SCHEMBL11718009

SCHEMBL11718009

O=C(NCCN1CCC(n2c(=O)[nH]c3cc(Cl)c(Cl)cc32)CC1)c1ccc(F)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 20/20 0.82
PLD1 Q13393 18/20 0.82
DRD2 P14416 1/20 0.82

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
Halopemide SCHEMBL121267 0.90 PLD2 (1.00) PLD2PLD1DRD2
SCHEMBL14845950 0.90 PLD2 (1.00) PLD2PLD1DRD2
SCHEMBL11713341 0.89 PLD2 (0.68) PLD2PLD1DRD2
SCHEMBL14845990 0.88 PLD2 (1.00) PLD2PLD1DRD2
SCHEMBL14845956 0.88 PLD2 (1.00) PLD2PLD1DRD2
SCHEMBL11716325 0.86 PLD2 (1.00) PLD2PLD1DRD2
SCHEMBL11713881 0.86 PLD2 (0.86) PLD2PLD1DRD2
SCHEMBL11721660 0.86 PLD2 (1.00) PLD2PLD1DRD2
SCHEMBL14845969 0.83 PLD2 (1.00) PLD2PLD1DRD2
SCHEMBL14846012 0.81 PLD2 (1.00) PLD2PLD1

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-4031226-A ANTIEMETIC, PSYCHOTROPIC JANSSEN PHARMACEUTICA N.V. (BE) 1977-06-21 US disclosed