SCHEMBL7475398

SCHEMBL7475398

[CH2]CCc1ccc(OCCCCCNCCCCCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.52
▸ S1PR3 Q99500 4/20 0.52
▸ S1PR2 O95136 3/20 0.52
▸ LPAR2 Q9HBW0 2/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ SLCO1B3 Q9NPD5 1/20 0.49
▸ SLCO1B1 Q9Y6L6 1/20 0.49
▸ NR5A1 Q13285 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.47
▸ S1PR5 Q9H228 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47

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
SCHEMBL9036347 0.92 MEN1 (0.53) S1PR1S1PR3S1PR2LPAR2MEN1
SCHEMBL5170504 0.91 NR5A1 (0.58) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL20739972 0.89 NR5A1 (0.55) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL3028156 0.86 LMNA (0.53) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL11042252 0.83 LMNA (0.59) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL58833 0.81 LMNA (0.61) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL8733409 0.81 LMNA (0.61) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL6200177 0.81 LMNA (0.61) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL7465256 0.81 LMNA (0.61) S1PR1S1PR3MEN1USP2ALDH1A1
SCHEMBL57081 0.81 LMNA (0.56) S1PR1S1PR3MEN1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 — — EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 — — US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 — — CN disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 — — US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 — — US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 — — EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 — — WO disclosed
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