SCHEMBL11241401

SCHEMBL11241401

COc1cc2cnc(N3CCN(C(=O)C4CC5C=CC4C5)CC3)nc2cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
DRD1 P21728 2/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
KCNH2 Q12809 2/20 0.43
KMT2A Q03164 2/20 0.43
MMP1 P03956 1/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRB3 P13945 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
HRH2 P25021 1/20 0.43

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
SCHEMBL11253598 0.92 KDM4E (0.42) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL3454088 0.83 KDM4E (0.61) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL11466444 0.76 KDM4E (0.62) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL11252736 0.74 KDM4E (0.46) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL8810668 0.74 LMNA (0.56) ALDH1A1HPGDGAATP53TSHR
SCHEMBL13764664 0.72 MAPT (0.52) KMT2AHTR1AHTR2AHTR2CALDH1A1
SCHEMBL24376184 0.71 KDM4E (0.53) KDM4EALDH1A1LMNA
SCHEMBL13483289 0.71 ALDH1A1 (0.69) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL2921304 0.69 ALDH1A1 (0.60) HTR2AKDM4EALDH1A1HPGDGLA
SCHEMBL11248049 0.69 KDM4E (0.39) ADRA1DADRA1AADRA1BADRA2AADRA2B

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
EP-0004389-B1 4-AMINO-6,7-DIMETHOXY QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND A PHARMACEUTICAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-07 EP claimed
EP-0004389-B1 4-AMINO-6,7-DIMETHOXY QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND A PHARMACEUTICAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-07 EP disclosed