SCHEMBL9220147

SCHEMBL9220147

O=C(Cc1ccc2c(c1)Cc1ccccc1-2)NC1CCCCCC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.59
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.51
EPHX1 P07099 1/20 0.49
SMYD3 Q9H7B4 1/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL9224893 0.79 HRH3 (0.51) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9220152 0.77 EPHX2 (0.52) EPHX2ALDH1A1MEN1KMT2ANPC1
SCHEMBL10089408 0.77 EPHX2 (0.68) EPHX2ALDH1A1MEN1KMT2ANPC1
SCHEMBL9227114 0.76 SRD5A2 (0.58) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL3397254 0.76 EPHX2 (1.00) EPHX2ALDH1A1MEN1KMT2ANPC1
SCHEMBL5051924 0.76 EPHX2 (1.00) EPHX2ALDH1A1MEN1KMT2ANPC1
SCHEMBL2751293 0.75 SIGMAR1 (0.68) EPHX2ALDH1A1MEN1KMT2ANPC1
SCHEMBL4422952 0.75 SRD5A2 (0.53) ALDH1A1NPC1RAB9ALMNAHTT
Methane SCHEMBL3680766 0.75 SRD5A2 (0.57) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL27830632 0.74 SRD5A2 (0.53) ALDH1A1NPC1RAB9ALMNASMN1; SMN2

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
US-5420348-A Enzyme inhibitors YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0447116-B1 Urea derivatives, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMA CO LTD (JP) 1994-12-14 EP disclosed
US-5258405-A Acetyl coenzyme A cholesterol acetyltransferase inhibitors for cardiovascular disorders and atherosclerosis and antilipemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-11-02 US disclosed
EP-0447116-A1 Urea derivatives, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-09-18 EP disclosed