SCHEMBL11333597

SCHEMBL11333597

COc1ccccc1N1CCN(CCCOc2ccc3c(c2)CCC(=O)N3)CC1

nearest known ligand 0.88

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.88
DRD3 P35462 9/20 0.88
DRD4 P21917 8/20 0.88
HTR1A P08908 2/20 0.67
HTR2A P28223 2/20 0.67
HTR2C P28335 1/20 0.67
SLC6A4 P31645 1/20 0.67
HTR7 P34969 1/20 0.67

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
SCHEMBL10570451 0.93 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL252295 0.91 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL10574132 0.90 DRD2 (0.95) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL14974690 0.90 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL23097782 0.88 DRD2 (0.82) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL251472 0.87 DRD2 (1.00) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL23097785 0.87 DRD2 (0.82) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL23097745 0.86 DRD2 (0.82) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL10835764 0.85 DRD2 (0.68) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL10573201 0.85 DRD2 (0.95) DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005828-B1 NEW SUBSTITUTED PHENYLPIPERAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1981-03-11 EP disclosed
US-4234584-A NEUROLEPTIC HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-18 US disclosed
EP-0005828-A1 New substituted phenylpiperazine derivatives, pharmaceutical compositions containing them and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1979-12-12 EP disclosed