SCHEMBL4389907

SCHEMBL4389907

C=CCN1CCN(C(=O)CC2CCC(c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
IDO1 P14902 1/20 0.43
GRM5 P41594 1/20 0.41
SLC2A1 P11166 1/20 0.41
CCR2 P41597 4/20 0.40
DRD2 P14416 1/20 0.39
PANK3 Q9H999 1/20 0.39
LMNA P02545 1/20 0.38
MCHR1 Q99705 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL4378354 0.83 CNR1 (0.47) DRD2MCHR1
SCHEMBL14434976 0.82 GRM5 (0.55) IDO1GRM5CCR2DRD2MCHR1
SCHEMBL4389914 0.79 DRD2 (0.41) CCR2DRD2MCHR1
SCHEMBL14434754 0.76 GRM5 (0.52) NPC1RAB9AGRM5DRD2MCHR1
SCHEMBL4389911 0.74 DRD2 (0.39) DRD2LMNA
SCHEMBL3771252 0.71 ALDH1A1 (0.47) NPC1RAB9ALMNACHRM4
SCHEMBL5425063 0.71 MCHR1 (0.76) MCHR1
SCHEMBL9256928 0.70 IDO1 (0.56) IDO1SLC2A1DRD2LMNA
SCHEMBL9256924 0.70 IDO1 (0.56) IDO1SLC2A1DRD2LMNA
SCHEMBL9283498 0.69 IDO1 (0.44) IDO1SLC2A1DRD2LMNA

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-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed