SCHEMBL7722387

SCHEMBL7722387

COc1ccccc1N1CCN(CCC(Oc2ccc(C(=O)O)cc2)c2ccc(C)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.73
ADRA1D P25100 11/20 0.69
ADRA1A P35348 11/20 0.69
ADRA1B P35368 11/20 0.69

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
SCHEMBL7722384 1.00 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1B
SCHEMBL10021791 0.91 HTR1A (0.88) HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7721600 0.84 HTR1A (0.69) HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7721603 0.84 HTR1A (0.69) HTR1AADRA1DADRA1AADRA1B
SCHEMBL7723314 0.83 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1B
SCHEMBL7723317 0.83 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1B
SCHEMBL10021790 0.83 HTR1A (0.88) HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722712 0.83 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722713 0.83 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1B
SCHEMBL12013917 0.81 ADRA1D (0.64) ADRA1DADRA1AADRA1B

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-6395739-B1 CARDIOVASCUALR DISORDERS; HYPOTENSIVE AGENTS ZERIA PHARMACEUTICAL CO., LTD. (JP) 2002-05-28 US disclosed
EP-1090913-A1 N-PHENYL-N'-PHENYLPROPYLPIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Zeria Pharmaceutical Co., Ltd. (JP) 2001-04-11 EP disclosed