SCHEMBL4031999

SCHEMBL4031999

CN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2NC(=O)N2CCOCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 11/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL4027669 0.91 SLC9A3 (0.47) SLC9A3KDM4EALDH1A1HSD17B10
SCHEMBL4033206 0.91 SLC9A3 (0.47) SLC9A3MAPT
SCHEMBL4028349 0.90 SLC9A3 (0.46) SLC9A3MAPT
SCHEMBL4032007 0.86 SLC9A3 (0.43) SLC9A3
SCHEMBL4029996 0.84 SLC9A3 (0.48) SLC9A3RAB9A
SCHEMBL4026500 0.83 SLC9A3 (0.61) SLC9A3RAB9A
SCHEMBL5749556 0.83 SLC9A3 (0.49) SLC9A3
Cyclopentane SCHEMBL4034441 0.82 SLC9A3 (0.51) SLC9A3
Cyclopropane SCHEMBL4031343 0.82 SLC9A3 (0.51) SLC9A3
SCHEMBL4027298 0.82 SLC9A3 (0.49) SLC9A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP claimed
EP-1453810-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS MEDICAMENTS, IN ADDITION TO A MEDICAMENT CONTAINING SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2009-03-18 EP disclosed