SCHEMBL5169846

SCHEMBL5169846

Cc1cccc(C(=O)CN(C)Cc2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.48
KMT2A Q03164 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
TMEM97 Q5BJF2 1/20 0.44
ACHE P22303 3/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5166535 0.86 SMN1; SMN2 (0.53) KMT2ASIGMAR1TMEM97ACHENR1I2
SCHEMBL5167540 0.86 ACHE (0.45) KMT2ASIGMAR1TMEM97ACHENR1I2
SCHEMBL5170362 0.85 SIGMAR1 (0.54) KMT2ASIGMAR1TMEM97ACHENR1I2
SCHEMBL5168636 0.85 SIGMAR1 (0.43) KCNK3KMT2ASIGMAR1TMEM97ACHE
SCHEMBL5165994 0.84 TP53 (0.52) KMT2ASIGMAR1ACHELMNAMAPT
Hydrochloric Acid SCHEMBL5166526 0.84 SIGMAR1 (0.53) KMT2ASIGMAR1TMEM97ACHENR1I2
SCHEMBL6249120 0.84 MAPT (0.60) KMT2ASIGMAR1TMEM97ACHENR1I2
SCHEMBL5166698 0.83 SIGMAR1 (0.51) SIGMAR1TMEM97ACHENR1I2LMNA
SCHEMBL5169424 0.83 LMNA (0.46) SIGMAR1TMEM97ACHENR1I2LMNA
SCHEMBL5166545 0.83 GSK3B (0.48) SIGMAR1TMEM97ACHENR1I2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1561744-A2 AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT POLA CHEMICAL INDUSTRIES INC. (JP) 2005-08-10 EP claimed
US-6329399-B1 Antifungal amine derivatives and processing for producing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-12-11 US claimed
EP-1020426-A1 AMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-07-19 EP claimed
EP-1561744-B1 AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT POLA CHEM IND INC (JP) 2007-04-18 EP disclosed
EP-1561744-A2 AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS ANTIMYCOTIC AGENT POLA CHEMICAL INDUSTRIES INC. (JP) 2005-08-10 EP disclosed
US-6329399-B1 Antifungal amine derivatives and processing for producing the same POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-12-11 US disclosed
EP-1020426-A1 AMINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-07-19 EP disclosed