SCHEMBL7473218

SCHEMBL7473218

[CH2]CCCCCc1ccccc1NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.49
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C19 P33261 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
SCHEMBL8421119 0.87 ALDH1A1 (0.52) ALDH1A1HPGDMAPK1POLBTSHR
SCHEMBL27406644 0.86 SLC16A3 (0.47) SLC16A3ALDH1A1POLBKDM4E
SCHEMBL7471260 0.85 SLC16A3 (0.47) SLC16A3ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL607963 0.84 MAPK1 (0.54) SLC16A3ALDH1A1HPGDMAPK1POLB
SCHEMBL7463265 0.84 POLB (0.54) SLC16A3ALDH1A1POLBHTT
SCHEMBL3026540 0.83 L3MBTL1 (0.45) SLC16A3ALDH1A1POLBTSHR
SCHEMBL8868044 0.82 ALDH1A1 (0.50) SLC16A3ALDH1A1HPGDMAPK1POLB
SCHEMBL8419387 0.82 ALDH1A1 (0.50) SLC16A3ALDH1A1HPGDMAPK1POLB
SCHEMBL1644901 0.82 MAPK1 (0.56) SLC16A3ALDH1A1HPGDMAPK1POLB
SCHEMBL11194905 0.82 CETP (0.49) SLC16A3POLBTSHRKDM4ELMNA

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 8 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
CN-1104412-A Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 1995-06-28 CN 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