SCHEMBL8518741

SCHEMBL8518741

NCC(N)c1ccccc1I

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.40
HTR2A P28223 3/20 0.36
IDO1 P14902 2/20 0.34
NISCH Q9Y2I1 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL20913743 0.80 TSHR (0.38) TAAR1HTR2AIDO1
SCHEMBL13866372 0.80 TAAR1 (0.34) TAAR1IDO1
SCHEMBL1851523 0.80 TSHR (0.38) TAAR1HTR2AIDO1
SCHEMBL11080353 0.79 TAAR1 (0.41) TAAR1HTR2AIDO1NISCHHTR2C
SCHEMBL10595562 0.77 IDO1 (0.42) TAAR1HTR2AIDO1
SCHEMBL7150299 0.77 IDO1 (0.42) TAAR1HTR2AIDO1
SCHEMBL10886406 0.77 EPHX1 (0.50) TAAR1EPHX1
SCHEMBL21585125 0.77 FFAR1 (0.36) TAAR1IDO1
SCHEMBL3983565 0.77 FFAR1 (0.36) TAAR1IDO1
SCHEMBL11657232 0.74 TAAR1 (0.37) TAAR1HTR2AIDO1

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
EP-0912899-A1 ENHANCED CHROMATOGRAPHY USING MULTIPHOTON DETECTION Biotraces, Inc. (US) 1999-05-06 EP disclosed
WO-1998002750-A1 ENHANCED CHROMATOGRAPHY USING MULTIPHOTON DETECTION BIOTRACES, INC. (US) 1998-01-22 WO disclosed
EP-0055300-A1 PLATINUM (II) COMPLEXES AND ANTINEOPLASTIC AGENTS CONTAINING SAME AS EFFECTIVE INGREDIENTS OTSUKA CHEMICAL COMPANY, LIMITED (JP) 1982-07-07 EP disclosed