SCHEMBL7723317

SCHEMBL7723317

COc1ccccc1N1CCN(CCC(Oc2ccc(C(=O)c3c[nH]c4ccccc34)cc2)c2ccc(C)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.58
ADRA1D P25100 10/20 0.58
ADRA1A P35348 10/20 0.58
ADRA1B P35368 10/20 0.58

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
SCHEMBL7723314 1.00 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722713 0.99 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722712 0.99 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1B
SCHEMBL7853749 0.91 ADRA1D (0.49) HTR1AADRA1DADRA1AADRA1B
SCHEMBL7722384 0.83 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1B
SCHEMBL7722387 0.83 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1B
SCHEMBL10021791 0.81 HTR1A (0.88) HTR1AADRA1DADRA1AADRA1B
SCHEMBL12013917 0.80 ADRA1D (0.64) ADRA1DADRA1AADRA1B
Potassium Ion SCHEMBL7860745 0.79 ADRA1D (0.55) HTR1AADRA1DADRA1AADRA1B
Potassium Ion SCHEMBL7853719 0.79 ADRA1D (0.55) HTR1AADRA1DADRA1AADRA1B

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