SCHEMBL7258864

SCHEMBL7258864

CN(C)CCc1ccccc1NN

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.53
▸ HTR2A P28223 3/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ AOC3 Q16853 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SLC6A4 P31645 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
SCHEMBL7257976 0.80 SLC6A4 (0.53) HTR2AALDH1A1GAAMAPTPOLB
SCHEMBL7438728 0.78 ALDH1A1 (0.46) TAAR1ALDH1A1GAAMAPTPOLB
Hydrochloric Acid SCHEMBL4915526 0.76 ALDH1A1 (0.44) ALDH1A1GAAMAPTPOLBTDP1
SCHEMBL7446162 0.74 POLB (0.44) ALDH1A1GAAMAPTPOLBTDP1
SCHEMBL29573161 0.74 POLB (0.44) ALDH1A1GAAMAPTPOLBTDP1
SCHEMBL28986869 0.74 ALDH1A1 (0.41) TAAR1HTR1AAOC3ALDH1A1GAA
SCHEMBL7258705 0.74 ALDH1A1 (0.42) TAAR1ALDH1A1GAAMAPTPOLB
SCHEMBL3462477 0.74 TAAR1 (0.59) TAAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL1495175 0.73 LIPG (0.50) HTR2AALDH1A1GAAMAPTPOLB
SCHEMBL21598453 0.73 PKM (0.40) TAAR1ALDH1A1GAAMAPTPOLB

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 6 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
CN-1043766-C Indole derivative and preparation and pharmaceutical using of same TORAY INDUSTRIES (JP) 1999-06-23 — — CN disclosed
CN-1092425-A Indole derivatives, its manufacture method and medicinal use thereof TORAY INDUSTRIES (JP) 1994-09-21 — — CN 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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