SCHEMBL3960558

SCHEMBL3960558

CC[C@H](c1cccc(N(C(C)C)C(C)C)c1)c1cc(C(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.48
RXRA P19793 1/20 0.45
PTGER1 P34995 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
GLRA1 P23415 1/20 0.42
NR4A2 P43354 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL723430 1.00 MRGPRX4 (0.48) MRGPRX4RXRAPTGER1POLBMAPT
Hydrochloric Acid SCHEMBL1354482 0.99 MRGPRX4 (0.47) MRGPRX4RXRAPTGER1POLBMAPT
Hydrochloric Acid SCHEMBL723194 0.99 MRGPRX4 (0.47) MRGPRX4RXRAPTGER1POLBMAPT
SCHEMBL1901761 0.91 HPGD (0.42) MRGPRX4RXRAPOLBMAPTTHRB
SCHEMBL7752289 0.91 HPGD (0.42) MRGPRX4RXRAPOLBMAPTTHRB
SCHEMBL2634518 0.85 CHRM2 (0.43) MRGPRX4MAPTGLRA1SMN1; SMN2NPC1
SCHEMBL7756337 0.85 CHRM2 (0.43) MRGPRX4MAPTGLRA1SMN1; SMN2NPC1
SCHEMBL722893 0.85 CHRM2 (0.43) MRGPRX4MAPTGLRA1SMN1; SMN2NPC1
SCHEMBL19212506 0.85 KDM4E (0.40) RXRAPOLBMAPTSMN1; SMN2NPC1
SCHEMBL724698 0.83 CHRM2 (0.45) RXRAPOLBMAPTRAB9A

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
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO claimed
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO disclosed
WO-2009037569-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF FESOTERODINE ACTAVIS GROUP PTC EHF (IS) 2009-03-26 WO disclosed