SCHEMBL11507484

SCHEMBL11507484

O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=S)[nH]c3cc(Cl)ccc32)CC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.86
DRD3 P35462 5/20 0.86
HTR1A P08908 5/20 0.86
SLC6A4 P31645 4/20 0.86
OPRM1 P35372 4/20 0.86
CYP2D6 P10635 3/20 0.86
HTR2A P28223 3/20 0.86
HRH1 P35367 3/20 0.86
HTR2B P41595 3/20 0.86
USP2 O75604 2/20 0.86
CYP1A2 P05177 2/20 0.86
ADRA2A P08913 2/20 0.86
LMNA P02545 2/20 0.86
MEN1 O00255 1/20 0.86
SLC22A2 O15244 1/20 0.86
NR1I2 O75469 1/20 0.86
GMNN O75496 1/20 0.86
GLA P06280 1/20 0.86
ADRB2 P07550 1/20 0.86
ADRB1 P08588 1/20 0.86

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
SCHEMBL11507943 0.93 DRD2 (0.86) DRD2DRD3HTR1ASLC6A4OPRM1
SCHEMBL11509148 0.92 OPRM1 (1.00) DRD2DRD3HTR1ASLC6A4OPRM1
Domperidone SCHEMBL29373565 0.92 OPRM1 (1.00) DRD2DRD3HTR1ASLC6A4OPRM1
Domperidone SCHEMBL43729 0.92 OPRM1 (1.00) DRD2DRD3HTR1ASLC6A4OPRM1
Domperidone SCHEMBL29177488 0.92 OPRM1 (0.98) DRD2DRD3HTR1ASLC6A4OPRM1
Domperidone SCHEMBL27988838 0.92 OPRM1 (0.98) DRD2DRD3HTR1ASLC6A4OPRM1
Domperidone SCHEMBL5569643 0.92 OPRM1 (0.98) DRD2DRD3HTR1ASLC6A4OPRM1
SCHEMBL11506801 0.91 CYP2D6 (0.70) DRD2DRD3HTR1ASLC6A4OPRM1
Domperidone SCHEMBL11506647 0.91 OPRM1 (0.96) DRD2DRD3HTR1ASLC6A4OPRM1
Water SCHEMBL11508185 0.90 DRD2 (0.94) DRD2DRD3HTR1ASLC6A4OPRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4175129-A Antiemetic 1-(benzoxazolylalkyl)-piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-20 US disclosed
US-4160836-A Antiemetic 1-(benzothiazolylalkyl)piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1979-07-10 US disclosed
US-4126687-A ANTIEMETIC, 1-(BENZIMIDAZOLYL-ALKYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-4126688-A ANTIEMETIC 1-(BENZOTRIAZOLYL-ALKYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-4110333-A ANTIEMETIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1978-08-29 US disclosed
US-4066772-A ANTIEMETICS JANSSEN PHARMACEUTICA N.V. (BE) 1978-01-03 US disclosed