SCHEMBL10736770

SCHEMBL10736770

COc1ccc(COc2ccc(CN3CCC(C(c4ccccc4)c4ccccc4)CC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.59
RAB9A P51151 4/20 0.59
TP53 P04637 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HRH3 Q9Y5N1 2/20 0.56
SIGMAR1 Q99720 1/20 0.56
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.52
TACR1 P25103 1/20 0.51

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
SCHEMBL10516031 0.93 NPC1 (0.68) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL10834365 0.93 SIGMAR1 (0.64) MEN1KMT2ASMN1; SMN2SIGMAR1
SCHEMBL10734444 0.91 HRH3 (0.60) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL10737009 0.89 NPC1 (0.60) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL8791480 0.83 SIGMAR1 (0.52) MEN1KMT2ASMN1; SMN2SIGMAR1TACR1
SCHEMBL10731913 0.82 NPC1 (0.51) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL10515031 0.81 MAPK1 (0.70) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1727229 0.79 BACE1 (0.65) KDM4ESIGMAR1TACR1
SCHEMBL10730443 0.79 S1PR1 (0.57) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL493660 0.79 SIGMAR1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4650874-A CARDIOVASCULAR AGENTS G. D. SEARLE & CO. (US) 1987-03-17 US disclosed