SCHEMBL19267247

SCHEMBL19267247

CCCCN(CC)CCc1ccc(-c2ccc(C(=O)NC(C)(C)C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RARA P10276 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ PLK1 P53350 1/20 0.42
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL19267422 0.81 DRD2 (0.49) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL24534825 0.80 PLK1 (0.56) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL3091682 0.78 TRPV1 (0.56) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL24835257 0.77 RARB (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL12894703 0.70 TP53 (0.55) RARBMEN1KMT2APLK1GAA
SCHEMBL2783032 0.69 CXCR2 (0.47) MEN1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL24835208 0.69 RARB (0.54) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL1761515 0.69 KDM4E (0.45) MEN1MAPTKMT2A
SCHEMBL24534839 0.69 PLK1 (0.59) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL12642713 0.68 KCNH2 (0.57) ALDH1A1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2943473-B1 BIPHENYL-ETHYL-PYRROLIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR MODULATORS FOR THE TREATMENT OF COGNITIVE DISORDERS ARENA PHARM INC (US) 2017-08-23 — — EP disclosed
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