SCHEMBL8499284

SCHEMBL8499284

N#CC(Cl)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.52
IDO1 P14902 4/20 0.45
TAAR1 Q96RJ0 1/20 0.42
SLC6A3 Q01959 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SIGMAR1 Q99720 5/20 0.38
PYCR1 P32322 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL11568319 0.84 PNMT (0.40) PNMTSLC6A4SIGMAR1
SCHEMBL4419129 0.82 PNMT (0.53) PNMTIDO1TAAR1SLC6A3SLC6A2
SCHEMBL26649158 0.79 PNMT (0.59) PNMTIDO1TAAR1SLC6A3SLC6A2
SCHEMBL11567658 0.79 ALDH1A1 (0.46) POLB
SCHEMBL11565787 0.78 PNMT (0.49) PNMTIDO1TAAR1SLC6A3SLC6A2
SCHEMBL11683459 0.77 VCAM1 (0.53) POLB
SCHEMBL11682445 0.77 TSHR (0.47)
SCHEMBL11566096 0.77 HSD17B10 (0.39) SLC6A2SLC6A4POLBSMN1; SMN2ALOX15
SCHEMBL8499045 0.76 PNMT (0.55) PNMTIDO1TAAR1
SCHEMBL9841199 0.74 PNMT (0.45) PNMTIDO1DPP4FAPDPP8

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-5952328-A MAY BE USED TO ALLEVIATE, MEDIATE, REDUCE AND/OR PREVENT DISORDERS WHICH ARE ASSOCIATED WITH ABNORMAL AND/OR ABERRANT ACTIVITY OF CYSTEINE PROTEASES AND/OR SERINE PROTEASES CEPHALON, INC. (US) 1999-09-14 US disclosed