SCHEMBL2870855

SCHEMBL2870855

O=C(NC1Cc2ccc(Br)cc2C1)c1ccc(OCC2CCCO2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.68
RAB9A P51151 9/20 0.67
NPC1 O15118 9/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 1/20 0.51
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL2870853 1.00 MCHR1 (0.68) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2814883 0.93 RAB9A (0.64) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2812283 0.93 RAB9A (0.64) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2812279 0.93 RAB9A (0.64) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL417284 0.87 MCHR1 (0.72) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL417285 0.87 MCHR1 (0.72) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL420200 0.87 MCHR1 (0.69) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL420199 0.87 MCHR1 (0.69) MCHR1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL420113 0.84 MCHR1 (0.51) MCHR1RAB9ANPC1SMN1; SMN2
SCHEMBL420114 0.84 MCHR1 (0.51) MCHR1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552199-B2 Substituted indanes, method for the production thereof, and use thereof as drugs SANOFI (FR) 2013-10-08 US disclosed
EP-2396298-A1 NOVEL SUBSTITUTED INDANES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI (FR) 2011-12-21 EP disclosed
WO-2010092154-A1 NOVEL SUBSTITUTED INDANES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI-AVENTIS (FR) 2010-08-19 WO disclosed