SCHEMBL6602378

SCHEMBL6602378

COc1ccc(NC(=O)c2ccco2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.64
HTR2C P28335 1/20 0.61
TSHR P16473 2/20 0.59
TP53 P04637 4/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
THRB P10828 1/20 0.53

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
SCHEMBL6602432 0.89 TSHR (0.63) MCHR1TSHRTP53RAB9ANPC1
SCHEMBL6608917 0.87 TSHR (0.60) MCHR1TSHRTP53RAB9ANPC1
SCHEMBL6602387 0.86 TSHR (0.59) MCHR1TSHRTP53RAB9ANPC1
SCHEMBL6925443 0.83 MCHR1 (0.81) MCHR1HTR2C
SCHEMBL6899093 0.82 MCHR1 (0.93) MCHR1HTR2C
SCHEMBL7614820 0.82 SLC2A1 (0.63) MCHR1HTR2CTP53RAB9ANPC1
SCHEMBL7614814 0.82 SLC2A1 (0.63) MCHR1HTR2CTP53RAB9ANPC1
SCHEMBL6926161 0.80 MCHR1 (0.76) MCHR1HTR2CTP53RAB9ANPC1
SCHEMBL6604028 0.80 MCHR1 (0.57) MCHR1HTR2CRAB9AKDM4EMAPT
SCHEMBL6898082 0.80 MCHR1 (0.78) MCHR1HTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed