SCHEMBL7469022

SCHEMBL7469022

[CH2]CCCc1ccccc1N(C)C(=O)NCCCCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.42
NAAA Q02083 4/20 0.42
EPHX1 P07099 3/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL9508710 0.79 ALDH1A1 (0.50) NAMPTALDH1A1NPC1RAB9AHPGD
SCHEMBL3051887 0.76 TSHR (0.60) ALDH1A1HPGDNAAAHTTTSHR
SCHEMBL4133486 0.76 NAAA (0.49) NAMPTALDH1A1NPC1RAB9ANAAA
SCHEMBL5268847 0.75 NAAA (0.48) ALDH1A1NPC1RAB9AHPGDNAAA
SCHEMBL3200016 0.74 NAAA (0.50) NAMPTALDH1A1NAAAEPHX1HTT
SCHEMBL4137692 0.73 EPHX2 (0.52) NAMPTALDH1A1NPC1RAB9ANAAA
SCHEMBL4137357 0.73 NAAA (0.58) NAMPTALDH1A1NPC1RAB9AHPGD
SCHEMBL3218535 0.72 NPY2R (0.44)
SCHEMBL2732795 0.71 DNM1 (0.52) HPGD
SCHEMBL7469026 0.70 TP53 (0.47) ALDH1A1NPC1POLB

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 4 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
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