SCHEMBL7841495

SCHEMBL7841495

NCCCN1CCc2cc(F)c(Cl)cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.62
HTR2C P28335 7/20 0.62
HTR2B P41595 7/20 0.62
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
EPHX2 P34913 1/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CDK4 P11802 1/20 0.34
ALOX15 P16050 1/20 0.34
CCND1 P24385 1/20 0.34
AR P10275 2/20 0.34
PNMT P11086 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
MAPT P10636 1/20 0.32
ALPG P10696 1/20 0.32

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
SCHEMBL7843799 0.87 HTR2A (0.46) HTR2AHTR2CHTR2BEPHX2MEN1
Ammonia Solution, Strong SCHEMBL906075 0.82 HTR2A (0.62) HTR2AHTR2CHTR2BHDAC1HDAC6
SCHEMBL14473195 0.80 HTR2A (0.67) HTR2AHTR2CHTR2BHDAC1HDAC6
SCHEMBL21008386 0.77 HTR2A (0.56) HTR2AHTR2CHTR2BHDAC1HDAC6
SCHEMBL7833793 0.77 EPHX2 (0.46) HTR2AHDAC1HDAC6EPHX2MEN1
SCHEMBL906072 0.77 HTR2A (1.00) HTR2AHTR2CHTR2BHDAC1HDAC6
Hydrochloric Acid SCHEMBL7845930 0.76 HTR2A (0.57) HTR2AHTR2CHTR2BHDAC1HDAC6
SCHEMBL2625795 0.74 HTR2A (0.55) HTR2AHTR2CHTR2BHDAC1HDAC6
SCHEMBL7840357 0.71 ALDH1A1 (0.42) HTR2AHTR2CHTR2BHDAC1HDAC6
SCHEMBL7674589 0.71 HTR2A (0.58) HTR2AHTR2CHTR2BHDAC1HDAC6

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
EP-1109784-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP claimed
WO-2000012475-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO claimed
EP-1109784-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP disclosed
WO-2000012475-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO disclosed