SCHEMBL10814136

SCHEMBL10814136

[CH2]CN(C)Cc1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 8/20 0.63
▸ MAOB P27338 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.47
▸ LSS P48449 2/20 0.46
▸ CXCR3 P49682 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL15128047 0.86 PYCR1 (0.67) PYCR1MAOBKDM4EALDH1A1TAAR1
SCHEMBL11181366 0.80 PYCR1 (0.57) PYCR1MAOBALDH1A1TAAR1TSHR
SCHEMBL1241075 0.80 KDM4E (0.69) PYCR1MAOBKDM4EALDH1A1TAAR1
SCHEMBL10663042 0.78 PYCR1 (0.58) PYCR1KDM4EALDH1A1LSSCXCR3
SCHEMBL3339451 0.78 PYCR1 (0.58) PYCR1KDM4EALDH1A1TAAR1CXCR3
SCHEMBL29336506 0.78 PYCR1 (1.00) PYCR1MAOBKDM4EALDH1A1TAAR1
SCHEMBL294657 0.77 ALDH1A1 (0.58) PYCR1MAOBKDM4EALDH1A1TSHR
SCHEMBL1241978 0.77 KDM4E (0.70) PYCR1MAOBKDM4EALDH1A1TAAR1
SCHEMBL3161523 0.77 PYCR1 (0.59) PYCR1MAOBKDM4EALDH1A1TAAR1
SCHEMBL399795 0.77 HRH3 (0.64) PYCR1MAOBKDM4EALDH1A1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4404378-A HYPOTENSIVE AGENTS; VASODILATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1983-09-13 — — US claimed
EP-0063747-A1 2-Substituted or unsubstituted aminocarbonyloxyalkyl-1,4-dihydropyridines BANYU PHARMACEUTICAL CO., LTD. (JP) 1982-11-03 — — EP claimed
EP-0063747-B1 2-SUBSTITUTED OR UNSUBSTITUTED AMINOCARBONYLOXYALKYL-1,4-DIHYDROPYRIDINES BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-12-09 — — EP disclosed
US-4404378-A HYPOTENSIVE AGENTS; VASODILATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1983-09-13 — — US disclosed
EP-0063747-A1 2-Substituted or unsubstituted aminocarbonyloxyalkyl-1,4-dihydropyridines BANYU PHARMACEUTICAL CO., LTD. (JP) 1982-11-03 — — EP disclosed
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