SCHEMBL5046276

SCHEMBL5046276

CC(C)CC(N)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
TAAR1 Q96RJ0 6/20 0.43
MAOA P21397 2/20 0.39
KIF11 P52732 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL28720314 0.80 GABRA1 (0.39) KCNN4CYP2D6CYP1A2TAAR1MAOA
SCHEMBL12833762 0.77 MAOA (0.42) KCNN4MAOAKIF11ALDH1A1
SCHEMBL6277129 0.76 TAAR1 (0.43) CYP2D6CYP1A2TAAR1ALDH1A1CYP2C19
SCHEMBL1538339 0.76 TAAR1 (0.43) KCNN4CYP2D6TAAR1ALDH1A1CYP2C19
SCHEMBL6681969 0.76 TAAR1 (0.54) CYP2D6TAAR1ALDH1A1CYP2C19HSD17B10
SCHEMBL11191439 0.76 CYP2D6 (0.43) KCNN4CYP2D6CYP1A2TAAR1ALDH1A1
SCHEMBL20241826 0.76 CYP1A2 (0.55) CYP2D6CYP1A2KIF11CYP2C19
SCHEMBL21528472 0.76 CYP1A2 (0.55) CYP2D6CYP1A2KIF11CYP2C19
SCHEMBL7132383 0.76 CYP2D6 (0.38) KCNN4CYP2D6CYP1A2TAAR1ALDH1A1
SCHEMBL20241828 0.76 CYP1A2 (0.55) CYP2D6CYP1A2KIF11CYP2C19

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
US-7419646-B2 Method of deacidizing a gas with a fractional regeneration absorbent solution INSTITUT FRANCAIS DU PETROLE (FR) 2008-09-02 US disclosed
US-20070286783-A1 METHOD OF DEACIDIZING A GASEOUS EFFLUENT WITH EXTRACTION OF THE PRODUCTS TO BE REGENERATED CARRETTE PIERRE-LOUIS 2007-12-13 US disclosed
WO-2007077323-A1 METHOD FOR DEACIDIFYING A GAS WITH A FRACTIONALLY-REGENERATED ABSORBENT SOLUTION WITH CONTROL OF THE WATER CONTENT OF THE SOLUTION Institut Français du Pétrole (FR) 2007-07-12 WO disclosed
US-20060104877-A1 Method of deacidizing a gas with a fractional regeneration absorbent solution INSTITUT FRANCAIS DE PETROLE (FR) 2006-05-18 US disclosed