SCHEMBL10667609

SCHEMBL10667609

COc1ccc2c(CCN(C)CCCN3CCc4cc5c(cc4C(=O)C3=O)OCO5)coc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HTR1A P08908 5/20 0.38
HRH3 Q9Y5N1 2/20 0.37
HCN4 Q9Y3Q4 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.35

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
SCHEMBL10664559 0.87 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9623985 0.87 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10665062 0.85 MAPT (0.38) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10662506 0.83 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9624455 0.81 MAPT (0.39) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9623770 0.79 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10667460 0.79 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10670743 0.79 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL10665260 0.78 CYP3A4 (0.63) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9624396 0.77 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2LMNA

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
US-4737495-A ANTIALLERGENS, ANTISCHEMIC, HYPOTENSIVE AGENTS DR. KARL TOMAE, GMBH (DE) 1988-04-12 US disclosed
EP-0204349-A2 Heteroaromatic amine derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1986-12-10 EP disclosed