SCHEMBL7723668

SCHEMBL7723668

CCN(CC)CCOc1cc(NC(=O)c2cncc(Br)c2)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.55
HTT P42858 3/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 2/20 0.55
NPC1 O15118 1/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KDR P35968 2/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48

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
SCHEMBL6603098 0.93 MCHR1 (0.52) MCHR1SMN1; SMN2HTTMAPTMAPK1
SCHEMBL6606694 0.91 MCHR1 (0.58) MCHR1SMN1; SMN2HTTMAPTMAPK1
SCHEMBL6603095 0.88 MCHR1 (0.60) MCHR1SMN1; SMN2HTTMAPTMAPK1
SCHEMBL6925370 0.88 MCHR1 (0.71) MCHR1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6610208 0.86 MCHR1 (0.63) MCHR1SMN1; SMN2HTTMAPTMAPK1
SCHEMBL6923947 0.86 MCHR1 (0.66) MCHR1TSHRLMNACYP1A2CYP3A4
SCHEMBL6926140 0.82 MCHR1 (0.72) MCHR1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6605967 0.82 MCHR1 (0.63) MCHR1SMN1; SMN2HTTMAPTMAPK1
SCHEMBL6923988 0.81 MCHR1 (0.71) MCHR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6928256 0.81 MCHR1 (0.70) MCHR1SMN1; SMN2MAPTMAPK1NPC1

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-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed