SCHEMBL9415944

SCHEMBL9415944

CC(O)NCc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
SLC2A1 P11166 2/20 0.46
CYP3A4 P08684 1/20 0.46
IDO1 P14902 1/20 0.46
AGXT P21549 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MASP2 O00187 1/20 0.45
DNM1 Q05193 1/20 0.45

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
SCHEMBL30471855 0.85 PNMT (0.56) PNMTTSHRRECQLLMNACHRM2
SCHEMBL12000668 0.85 PNMT (0.56) PNMTTSHRRECQLLMNACHRM2
SCHEMBL5266009 0.83 CYP2D6 (0.70) TSHRLMNACHRM2SLC2A1CYP3A4
SCHEMBL13995683 0.79 PNMT (0.50) PNMTTSHRRECQLLMNACHRM2
SCHEMBL172627 0.79 PNMT (0.50) PNMTTSHRRECQLLMNACHRM2
SCHEMBL124064 0.79 ADRB2 (0.49) CYP2D6
SCHEMBL20246277 0.79 MEN1 (0.52) TAAR1IDO1AGXTCYP1A2CYP2D6
SCHEMBL5270168 0.78 CASR (0.56) PNMTLMNACHRM2IDO1CYP1A2
SCHEMBL9415891 0.77 CYP2C19 (0.63) TSHRLMNACYP1A2CYP2D6CYP2C19
SCHEMBL11413330 0.77 CHRM2 (0.45) PNMTLMNACHRM2TAAR1SLC2A1

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
EP-0599265-A1 Antibacterial, antifungal compound and its production method Takeda Chemical Industries, Ltd. (JP) 1994-06-01 EP disclosed