SCHEMBL7108535

SCHEMBL7108535

CCOC(=O)CNc1c(Cl)cc(CCN[C@@H](C)[C@@H](O)c2ccc(O)cc2)c(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.57
ADRB2 P07550 2/20 0.45
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
GALR3 O60755 1/20 0.45
ADRB1 P08588 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL7108532 1.00 ADRB3 (0.57) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL7107190 0.88 ADRB3 (0.58) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL7107193 0.88 ADRB3 (0.58) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL7105485 0.88 ADRB3 (0.68) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL7106244 0.88 ADRB3 (0.68) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL8086859 0.88 ADRB3 (0.56) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL8086853 0.88 ADRB3 (0.56) ADRB3ADRB2LMNACYP2D6HIF1A
Hydrochloric Acid SCHEMBL7109271 0.87 ADRB3 (0.68) ADRB3ADRB2LMNACYP2D6HIF1A
Hydrochloric Acid SCHEMBL7109266 0.87 ADRB3 (0.68) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL7106402 0.86 ADRB3 (0.55) ADRB3ADRB2LMNACYP2D6HIF1A

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-1043308-B1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2003-09-24 EP disclosed
EP-1043308-A1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2000-10-11 EP disclosed