SCHEMBL8530413

SCHEMBL8530413

FC(F)(F)c1ccc(C2[CH]CCCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 2/20 0.39
LTA4H P09960 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TACR1 P25103 3/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GMNN O75496 1/20 0.34

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
SCHEMBL14931991 1.00 HTR2C (0.46) HTR2CL3MBTL1KDM1ALTA4HMEN1
SCHEMBL7480391 0.80 PRCP (0.38) HTR2CKDM1ALTA4H
SCHEMBL8533494 0.80 PRCP (0.38) HTR2CKDM1ALTA4H
SCHEMBL8533774 0.77 MAPT (0.42) HTR2CKDM1AMAPTCYP1A2CYP3A4
SCHEMBL6227686 0.76 SLC18A3 (0.38) GAATACR1CYP1A2CYP2D6CYP2C19
SCHEMBL472003 0.76 SLC18A3 (0.38) GAATACR1CYP1A2CYP2D6CYP2C19
SCHEMBL8900994 0.72 ADRA2C (0.44) KDM1AMEN1KMT2AALDH1A1
SCHEMBL8531757 0.72 KDM1A (0.37) HTR2CKDM1A
SCHEMBL3597818 0.71 HTR2C (0.53) HTR2CL3MBTL1KDM1ALTA4HMEN1
SCHEMBL6177442 0.71 HTR2C (0.53) HTR2CL3MBTL1KDM1ALTA4HMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed