SCHEMBL11507693

SCHEMBL11507693

O=c1[nH]c2ccccc2n1CCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 15/20 0.60
▸ OPRK1 P41145 9/20 0.60
▸ HTR1A P08908 8/20 0.60
▸ DRD2 P14416 8/20 0.60
▸ DRD4 P21917 8/20 0.60
▸ HTR2A P28223 8/20 0.60
▸ HTR2C P28335 8/20 0.60
▸ HTR7 P34969 8/20 0.60
▸ HTR1D P28221 7/20 0.60
▸ DRD3 P35462 7/20 0.60
▸ HTR2B P41595 7/20 0.60
▸ OPRD1 P41143 7/20 0.60
▸ HRH2 P25021 6/20 0.60
▸ DRD1 P21728 6/20 0.60
▸ DRD5 P21918 6/20 0.60
▸ SLC6A2 P23975 6/20 0.60
▸ SLC6A4 P31645 6/20 0.60
▸ HTR6 P50406 6/20 0.60
▸ SLC6A3 Q01959 6/20 0.60
▸ OPRL1 P41146 7/20 0.57

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
SCHEMBL11506081 0.90 OPRM1 (0.54) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL11507337 0.84 HTR7 (0.62) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL14282239 0.82 OPRM1 (0.76) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL11507327 0.82 LMNA (0.60) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL11507328 0.82 HTR7 (0.66) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL11506921 0.80 LMNA (0.60) OPRM1OPRK1HTR1ADRD2HTR2A
Penfluridol SCHEMBL28086462 0.78 OPRM1 (0.69) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL11506895 0.78 CCR1 (0.53) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL11508308 0.76 DRD2 (0.56) OPRM1OPRK1HTR1ADRD2HTR2A
SCHEMBL11508526 0.76 DRD2 (0.52) OPRM1OPRK1HTR1ADRD2HTR2A

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
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