SCHEMBL7998314

SCHEMBL7998314

CC(N)Cn1ccc2cccc(O)c21.COc1cccc2ccn(CC(C)N)c12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.53
HTR2A P28223 12/20 0.52
HTR2B P41595 5/20 0.48
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7997702 0.92 HTR2C (0.61) HTR2CHTR2AHTR2B
SCHEMBL7983996 0.89 HTR2C (0.63) HTR2CHTR2AHTR2B
SCHEMBL7998316 0.79 HTR2C (0.42) HTR2CHTR2AHTR2BMAPT
SCHEMBL23927854 0.76 HTR2C (0.42) HTR2CHTR2AHTR2BALDH1A1LMNA
SCHEMBL29780344 0.76 HTR2C (0.42) HTR2CHTR2AHTR2BALDH1A1LMNA
SCHEMBL23927852 0.76 HTR2C (0.42) HTR2CHTR2AHTR2BALDH1A1LMNA
SCHEMBL18247631 0.73 CYP19A1 (0.43) HTR2CHTR2AKDM4EALDH1A1MAPT
SCHEMBL7808564 0.72 CNR2 (0.39) HTR2CHTR2AKDM4EMAPK1
SCHEMBL23927911 0.70 HTR2C (0.54) HTR2CHTR2AKDM4EALDH1A1HPGD
SCHEMBL15112345 0.68 CNR2 (0.56)

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
WO-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 WO disclosed