SCHEMBL9220495

SCHEMBL9220495

c1ccc2c(c1)ccc1cc(CNC3CCCCCC3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
POLB P06746 2/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.45
CXCR4 P61073 2/20 0.43
HDAC1 Q13547 1/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
NR1I2 O75469 1/20 0.43
HPGD P15428 1/20 0.43
AHR P35869 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
MC5R P33032 1/20 0.42

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
SCHEMBL15760101 0.88 HRH3 (0.59) HRH3POLBALDH1A1KMT2ACXCR4
SCHEMBL9227710 0.79 KMT2A (0.52) HRH3ALDH1A1HTTLMNAKMT2A
SCHEMBL695325 0.79 MEN1 (0.56) HRH3ALDH1A1KMT2ARAB9AMEN1
SCHEMBL9227767 0.79 ALDH1A1 (0.57) HRH3ALDH1A1HTTLMNAKMT2A
SCHEMBL9227649 0.79 ALDH1A1 (0.57) HRH3ALDH1A1HTTLMNAKMT2A
Hydrochloric Acid SCHEMBL2807810 0.78 MEN1 (0.59) HRH3POLBALDH1A1KMT2ARAB9A
SCHEMBL9221031 0.76 HRH3 (0.61) HRH3POLBALDH1A1KMT2ACXCR4
SCHEMBL18677377 0.76 CCR3 (0.59) HRH3POLBALDH1A1HDAC1SSTR3
SCHEMBL9252404 0.76 ALDH1A1 (0.68) HRH3POLBALDH1A1HTTCXCR4
SCHEMBL11509945 0.76 ALDH1A1 (0.68) HRH3POLBALDH1A1HTTCXCR4

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