SCHEMBL7798992

SCHEMBL7798992

COc1ccc(CSC(C)(C)CN(CCN)CC(C)(C)SCc2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
IDO1 P14902 4/20 0.42
MAOB P27338 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PRMT1 Q99873 1/20 0.41
AOC3 Q16853 4/20 0.40
KIF11 P52732 1/20 0.38
APP P05067 1/20 0.37
AGXT P21549 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6576808 0.80 IDO1 (0.44) TAAR1IDO1MAOBCYP3A4CYP1A2
SCHEMBL20435360 0.80 TAAR1 (0.50) TAAR1IDO1MAOBCYP3A4CYP1A2
SCHEMBL6578267 0.80 CYP3A4 (0.62) TAAR1IDO1MAOBCYP3A4CYP1A2
SCHEMBL27715704 0.75 TAAR1 (0.47) TAAR1IDO1MAOBCYP3A4AOC3
SCHEMBL30657036 0.74 TAAR1 (0.44) TAAR1IDO1MAOBCYP3A4CYP1A2
SCHEMBL16589112 0.74 IDO1 (0.47) TAAR1IDO1MAOBCYP3A4CYP1A2
SCHEMBL6574310 0.74 CYP1A2 (0.41) IDO1CYP3A4CYP1A2CYP2D6ALDH1A1
SCHEMBL7798995 0.74 CYP3A4 (0.46) TAAR1IDO1MAOBCYP3A4CYP1A2
SCHEMBL4554161 0.73 TAAR1 (0.57) TAAR1IDO1MAOBAOC3AGXT
SCHEMBL7668721 0.72 IDO1 (0.52) TAAR1IDO1MAOBCYP3A4APP

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-0750610-B1 PIPERIDYL-4-SUBSTITUTED THYROSINE DERIVATIVES AS SCINTIGRAPHIC IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOSIS DIATIDE INC (US) 2001-12-12 EP disclosed
US-5849261-A Radiolabeled vasoactive intestinal peptides for diagnosis and therapy DIATIDE, INC. (US) 1998-12-15 US disclosed
EP-0644778-B1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING DIATIDE INC (US) 1997-05-14 EP disclosed