SCHEMBL9622848

SCHEMBL9622848

COc1ccc(CSC2CCN(C)CC2)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.45
OPRK1 P41145 2/20 0.45
CYP1A2 P05177 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRD1 P41143 1/20 0.45
APOBEC3A P31941 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
QRFPR Q96P65 1/20 0.39
AOC3 Q16853 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL9622210 0.82 CYP1A2 (0.52) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL9622896 0.80 ALDH1A1 (0.46) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL9367495 0.77 CPT1B (0.46) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL9367280 0.77 SMN1; SMN2 (0.48) CYP1A2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL9367286 0.77 SMN1; SMN2 (0.48) CYP1A2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL9622599 0.75 LMNA (0.44) CHRM2OPRK1SLC6A4MEN1KMT2A
SCHEMBL9622597 0.75 LMNA (0.44) CHRM2OPRK1SLC6A4MEN1KMT2A
SCHEMBL9622306 0.75 ALOX5 (0.47) MEN1KMT2AKDM4ELMNA
SCHEMBL9622928 0.75 MEN1 (0.42) CHRM2OPRK1CYP1A2SLC6A4OPRD1
SCHEMBL9366603 0.75 CPT1B (0.55) CHRM2OPRK1CYP1A2SLC6A4OPRD1

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-5126356-A Antiischemic agents ADIR ET COMPAGNIE (FR) 1992-06-30 US disclosed