SCHEMBL7257976

SCHEMBL7257976

CN(C)Cc1ccccc1NN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 11/20 0.53
▸ SLC6A2 P23975 9/20 0.44
▸ SLC6A3 Q01959 7/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTR2A P28223 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL27838167 0.81 SLC6A4 (0.48) SLC6A4ALDH1A1GAAMAPTPOLB
SCHEMBL9283026 0.81 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL7258864 0.80 TAAR1 (0.53) SLC6A4ALDH1A1GAAMAPTHTR2A
SCHEMBL7258753 0.78 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL29729780 0.77 ALDH1A1 (0.57) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL125255 0.77 ALDH1A1 (0.57) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL26123680 0.76 SLC6A4 (0.54) SLC6A4SLC6A2ALDH1A1TSHRLMNA
SCHEMBL844631 0.76 ALDH1A1 (0.63) ALDH1A1GAAMAPTPOLBMEN1
Bromide SCHEMBL20984235 0.74 ALDH1A1 (0.61) ALDH1A1GAAMAPTPOLBMEN1
Hydrochloric Acid SCHEMBL1307931 0.74 ALDH1A1 (0.61) ALDH1A1GAAMAPTPOLBTDP1

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 5 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
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 — — 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
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