SCHEMBL11111017

SCHEMBL11111017

Clc1ccc2c(c1)CNc1ccccc1C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
PNMT P11086 4/20 0.43
AHR P35869 3/20 0.42
CMA1 P23946 1/20 0.42
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL7337925 0.93 ALOX15 (0.67) ALOX15HSD17B10PNMTAHRCMA1
SCHEMBL7341760 0.88 ALOX15 (0.63) ALOX15HSD17B10PNMTAHRCMA1
SCHEMBL7858934 0.88 ALOX15 (0.63) ALOX15HSD17B10PNMTAHRCMA1
SCHEMBL2087881 0.81 ALOX15 (1.00) ALOX15HSD17B10PNMTAHRGAA
SCHEMBL31546300 0.81 ALOX15 (1.00) ALOX15HSD17B10PNMTAHRGAA
SCHEMBL7866841 0.79 ALOX15 (0.67) ALOX15HSD17B10AHRGAANPSR1
SCHEMBL894019 0.79 ALOX15 (0.67) ALOX15HSD17B10PNMTAHRCMA1
SCHEMBL6905658 0.79 HTR2A (0.45) PNMTAHRCMA1CA1CA2
SCHEMBL31196699 0.79 HTR2A (0.45) PNMTAHRCMA1CA1CA2
SCHEMBL31196698 0.79 HTR2A (0.45) PNMTAHRCMA1CA1CA2

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-4434171-A NEUROLEPTIC, ANTIDEPRESSANT SANDOZ LTD. (CH) 1984-02-28 US disclosed