SCHEMBL9803079

SCHEMBL9803079

CC(C)COc1ccccc1NCCCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CACNA1B Q00975 4/20 0.43
HTR1B P28222 2/20 0.40
BRCA1 P38398 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
TOP2A P11388 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HRH1 P35367 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
SLC2A1 P11166 1/20 0.37
APOBEC3A P31941 1/20 0.37
RAD52 P43351 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL9803577 0.76 GAA (0.53) CACNA1BKDM4EPOLBKMT2A
SCHEMBL9764367 0.73 HTR2C (0.43) KDM4EPOLBKMT2A
SCHEMBL4933690 0.71 DRD3 (0.49) CACNA1BKDM4E
SCHEMBL3870508 0.71 TOP2A (0.43) BRCA1SMN1; SMN2HIF1ATOP2ANPC1
SCHEMBL3872395 0.70 HDAC3 (0.43) CHRM2BRCA1SMN1; SMN2HIF1ATOP2A
SCHEMBL9803408 0.69 KDM4E (0.43) HTR1BSMN1; SMN2HIF1AKDM4EHRH1
SCHEMBL21139494 0.69 HTR2C (0.40) SMN1; SMN2KDM4EPOLBKMT2A
SCHEMBL1471135 0.69 CHRM2 (0.58) CHRM2NPC1POLBSLC2A1RAD52
SCHEMBL10116969 0.69 KMT2A (0.55) BRCA1SMN1; SMN2HIF1ATOP2AKDM4E
SCHEMBL4334443 0.69 ALDH1A1 (0.55) SMN1; SMN2KDM4EPOLBKMT2A

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-5075325-A Cardiovascular disorders SYNTHELABO (FR) 1991-12-24 US disclosed
US-5001159-A Hypotensive, antiulcer, antiischemic agents; migraines, asthma epilepsy, anticoagulants; cardiovasculat disorders SYNTHELABO (FR) 1991-03-19 US disclosed