SCHEMBL16784792

SCHEMBL16784792

COc1cc(CF)ccc1-c1cccc2c1CNCC2

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.47
PRCP P42785 1/20 0.46
CD274 Q9NZQ7 3/20 0.45
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HTR6 P50406 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL15272185 0.81 JAK2 (0.48) PNMTPRCPCD274HTR6
SCHEMBL5086121 0.81 PNMT (0.61) PNMTPRCPCD274
SCHEMBL16518770 0.80 PNMT (0.48) PNMTPRCPCD274
Hydrochloric Acid SCHEMBL11487923 0.79 PNMT (0.59) PNMTPRCPCD274
SCHEMBL16784767 0.74 HTR2C (0.35) CD274
SCHEMBL915092 0.73 PNMT (0.69) PNMTPRCPCD274HRH3
SCHEMBL16518783 0.73 PNMT (0.54) PNMTPRCPCD274HRH3
Hydrochloric Acid SCHEMBL1124672 0.72 PNMT (0.68) PNMTPRCPCD274HRH3
SCHEMBL11486132 0.69 CD274 (0.65) PNMTPRCPCD274
SCHEMBL16518127 0.69 PRCP (0.55) PNMTPRCPHDAC1HDAC6HDAC5

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-9051311-B2 Sulfamide sodium channel inhibitors AMGEN INC. (US) 2015-06-09 US disclosed