SCHEMBL7756337

SCHEMBL7756337

CC[C@@H](c1cccc(N(C(C)C)C(C)C)c1)c1cc(CO)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
TSHR P16473 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
HPGD P15428 1/20 0.35
APP P05067 1/20 0.35
INPPL1 O15357 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL722893 1.00 CHRM2 (0.43) CHRM2CHRM1SMN1; SMN2NPC1RAB9A
SCHEMBL2634518 1.00 CHRM2 (0.43) CHRM2CHRM1SMN1; SMN2NPC1RAB9A
SCHEMBL3960558 0.85 MRGPRX4 (0.48) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL723430 0.85 MRGPRX4 (0.48) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL19212480 0.85 CHRM2 (0.40) CHRM2CHRM1MAPTTSHR
SCHEMBL19212482 0.85 CHRM2 (0.40) CHRM2CHRM1MAPTTSHR
Hydrochloric Acid SCHEMBL1354482 0.85 MRGPRX4 (0.47) SMN1; SMN2NPC1RAB9AMAPTTP53
Hydrochloric Acid SCHEMBL723194 0.85 MRGPRX4 (0.47) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL4659036 0.83 CHRM2 (0.51) CHRM2CHRM1SMN1; SMN2NPC1RAB9A
SCHEMBL4660409 0.83 CHRM2 (0.51) CHRM2CHRM1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO disclosed