SCHEMBL9878718

SCHEMBL9878718

CC(C)(C)NCCNC(=O)Cn1ncc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.47
ADRB3 P13945 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
GPR139 Q6DWJ6 2/20 0.38
TGFBR1 P36897 1/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2D6 P10635 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
S1PR1 P21453 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
SCHEMBL9877735 0.93 PTGIR (0.48) PTGIRADRB3SMN1; SMN2ALDH1A1RAB9A
SCHEMBL9877935 0.84 PTGIR (0.53) PTGIRADRB3SMN1; SMN2ALDH1A1RAB9A
SCHEMBL10359077 0.82 PTGIR (0.49) PTGIRADRB3SMN1; SMN2ALDH1A1TP53
SCHEMBL9877283 0.82 PTGIR (0.51) PTGIRADRB3SMN1; SMN2RAB9ATP53
Hydrochloric Acid SCHEMBL9877187 0.81 PTGIR (0.48) PTGIRADRB3SMN1; SMN2ALDH1A1TP53
Water SCHEMBL9877241 0.81 LMNA (0.51) PTGIRADRB3SMN1; SMN2ALDH1A1RAB9A
SCHEMBL10359758 0.80 PTGIR (0.49) PTGIRADRB3SMN1; SMN2ALDH1A1RAB9A
SCHEMBL9876977 0.80 MEN1 (0.52) PTGIRADRB3ALDH1A1TP53GAA
SCHEMBL9876879 0.79 ALDH1A1 (0.48) PTGIRALDH1A1RAB9ATP53GAA
SCHEMBL9877410 0.79 PTGIR (0.48) PTGIRADRB3ALDH1A1TP53MAPK1

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-4988725-A Cardiovascular disorders, antiarrhythmia agents STERLING DRUG INC. (US) 1991-01-29 US disclosed
EP-0388654-A2 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4916150-A 1H-pyrazole-1-alkanamines antiarrhythmic compositions and use STERLING DRUG INC. (US) 1990-04-10 US disclosed
US-4870095-A 1H-pyrazole-1-alkanamides, antiarrhythmic compositions and use STERLING DRUG, INC. (US) 1989-09-26 US disclosed