SCHEMBL7258749

SCHEMBL7258749

CN(C)Cc1ccccc1N(C)N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.46
SLC6A2 P23975 11/20 0.46
SLC6A3 Q01959 9/20 0.46
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.42
AOC3 Q16853 2/20 0.41
HTR2A P28223 3/20 0.41
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL15850641 0.82 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL7258201 0.79 TAAR1 (0.55) AOC3HTR2A
SCHEMBL29729780 0.78 ALDH1A1 (0.57) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL125255 0.78 ALDH1A1 (0.57) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL29223182 0.77 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL14196710 0.75 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3ALDH1A1AOC3
SCHEMBL22590892 0.74 AOC3 (0.36) SLC6A4SLC6A2AOC3
SCHEMBL16310159 0.74 AOC3 (0.34) ALDH1A1TSHRAOC3SMN1; SMN2
SCHEMBL4313605 0.73 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL4752192 0.73 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614898-B1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-05-07 EP disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 EP disclosed