SCHEMBL6650848

SCHEMBL6650848

[NH]C(c1cccs1)[C@@H](N)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
SLC6A2 P23975 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SLC5A2 P31639 1/20 0.38
ANPEP P15144 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
SLC15A1 P46059 1/20 0.36
CTSC P53634 1/20 0.36

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
SCHEMBL8801566 0.80 SLC6A2 (0.48) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL3289195 0.79 EPHX1 (0.48) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL30846601 0.79 EPHX1 (0.48) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL30846613 0.79 EPHX1 (0.48) EPHX1SLC6A2TAAR1MAOASLC6A4
Hydrochloric Acid SCHEMBL8800673 0.79 SLC6A2 (0.47) EPHX1SLC6A2TAAR1MAOASLC6A4
Hydrochloric Acid SCHEMBL9482622 0.77 EPHX1 (0.47) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL3906596 0.73 SLC5A2 (0.52) EPHX1SLC5A2
SCHEMBL6570901 0.72 ALDH1A1 (0.40) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL6645769 0.71 SLC6A2 (0.58) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL24017042 0.71 EPHX1 (0.70) EPHX1SLC6A2TAAR1MAOASLC6A4

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-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO disclosed