SCHEMBL11099705

SCHEMBL11099705

O=c1[nH]c2cc(Br)ccc2n1C1CCN(CC2COc3ccccc3O2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.58
DRD2 P14416 3/20 0.53
HTR1A P08908 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
CHRM1 P11229 2/20 0.50
KCNH2 Q12809 1/20 0.50

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
Axamozide SCHEMBL11022863 0.89 OPRM1 (0.60) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11024037 0.89 OPRM1 (0.58) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11024243 0.89 DRD2 (0.61) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL9943304 0.88 DRD2 (0.61) OPRM1DRD2HTR1AHTR2AHTR2C
Axamozide SCHEMBL11027857 0.88 OPRM1 (0.59) OPRM1DRD2HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL11096032 0.87 DRD2 (0.61) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11100538 0.87 DRD2 (0.53) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11028043 0.87 USP2 (0.58) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL11025859 0.86 OPRM1 (0.60) OPRM1DRD2HTR1AHTR2AHTR2C
SCHEMBL11098077 0.86 DRD2 (0.51) DRD2HTR1AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4470989-A Neuroleptic n-oxacyclyl-alkylpiperidine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed
EP-0068261-A1 N-oxacyclyl-alkylpiperidine derivatives, their preparation, pharmaceutical preparations containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP disclosed