SCHEMBL16814883

SCHEMBL16814883

NCc1ccccc1N1CC2CC2C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.49
▸ TPH1 P17752 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ PNMT P11086 2/20 0.36
▸ MC4R P32245 1/20 0.36
▸ DPP4 P27487 2/20 0.34
▸ HTR2C P28335 6/20 0.32
▸ HTR2B P41595 6/20 0.32
▸ HTR2A P28223 4/20 0.32
▸ MAOB P27338 2/20 0.32
▸ BPTF Q12830 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
SCHEMBL16814948 0.82 NCF1 (0.50) NCF1TPH1BRD4PNMTMC4R
SCHEMBL27834649 0.78 NCF1 (0.71) NCF1PNMTMC4RDPP4HTR2C
SCHEMBL28294095 0.78 NCF1 (0.56) NCF1BRD4PNMTMC4RDPP4
SCHEMBL16814961 0.77 TPH1 (0.37) NCF1TPH1BRD4MC4RHTR2C
SCHEMBL30607725 0.76 NCF1 (0.51) NCF1BRD4MC4R
SCHEMBL16814882 0.75 NCF1 (0.77) NCF1PNMTMC4RDPP4
SCHEMBL111729 0.75 NCF1 (0.72) NCF1PNMTMC4R
SCHEMBL16814951 0.73 NCF1 (0.70) NCF1
SCHEMBL110730 0.73 NCF1 (0.70) NCF1
SCHEMBL28753504 0.73 NCF1 (0.55) NCF1BRD4PNMTMC4RHTR2C

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-2015089137-A1 ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-06-18 — — WO disclosed
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