SCHEMBL8809235

SCHEMBL8809235

c1ccc(-c2ccc(CNC3CCCCCC3)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.55
USP2 O75604 1/20 0.53
KDM1A O60341 1/20 0.48
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
ALKBH5 Q6P6C2 2/20 0.45
FTO Q9C0B1 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.43

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
SCHEMBL20846588 0.84 KDM4E (0.47) USP2HRH3KMT2AMEN1RAB9A
SCHEMBL8809493 0.74 S1PR1 (0.56) USP2HRH3KMT2ARAB9ALMNA
SCHEMBL15104600 0.72 NOTUM (0.51) USP2CYP3A4CYP2D6CYP2C19RAB9A
SCHEMBL24221657 0.72 CACNA1G (0.58) FTOKMT2AMEN1LMNAHTT
SCHEMBL24093171 0.72 HRH3 (0.86) KDM1AHRH3KMT2AMEN1RAB9A
SCHEMBL23200029 0.72 USP2 (0.51) USP2CYP2C9HRH3KMT2AMEN1
SCHEMBL8809487 0.72 HRH3 (0.86) KDM1AHRH3KMT2AMEN1RAB9A
SCHEMBL24701101 0.72 SOS1 (0.68) HRH1KDM1ACYP2E1CYP3A4CYP2D6
SCHEMBL8807380 0.72 HRH1 (0.62) HRH1KDM1ACYP2E1CYP3A4CYP2D6
SCHEMBL1847296 0.71 HRH3 (0.71) HRH3KMT2AMEN1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed