SCHEMBL20053544

SCHEMBL20053544

O=C(c1ccc(-c2ccc(OCC3CCN(CC4(F)CCC4)CC3)cc2)cc1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.53
HPGD P15428 4/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRB2 P07550 1/20 0.43
CYP2D6 P10635 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHEK2 O96017 1/20 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
SCHEMBL20053573 0.97 HRH3 (0.52) HRH3HPGDKDM4EL3MBTL1ALDH1A1
SCHEMBL15537609 0.91 HRH3 (0.52) HRH3HPGD
SCHEMBL15537611 0.91 HRH3 (0.52) HRH3HPGD
SCHEMBL15539486 0.89 HRH3 (0.52) HRH3CHEK2
SCHEMBL15539488 0.89 HRH3 (0.52) HRH3CHEK2
SCHEMBL15539041 0.89 SSTR5 (0.51)
SCHEMBL15537539 0.88 HRH3 (0.51) HRH3HPGD
SCHEMBL15537541 0.88 HRH3 (0.51) HRH3HPGD
SCHEMBL21042670 0.87 HRH3 (0.52) HRH3HPGDKDM4EL3MBTL1ALDH1A1
SCHEMBL15537601 0.86 DRD2 (0.43) KDM4E

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
US-9944600-B2 Piperidine derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-04-17 US disclosed