SCHEMBL10669677

SCHEMBL10669677

C=CCn1nc(C)c(NCCC(N)C(O)c2ccc(O)cc2)c1C

nearest known ligand 0.30

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.30
LMNA P02545 2/20 0.30
HIF1A Q16665 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
OPRM1 P35372 2/20 0.30
CYP2D6 P10635 1/20 0.30
GALR3 O60755 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRK1 P41145 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ESR1 P03372 1/20 0.30
ADRB3 P13945 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL10671463 0.90 ALDH1A1 (0.36) LMNAHIF1A
SCHEMBL10670260 0.75 LMNA (0.47) LMNA
SCHEMBL10667105 0.73 HIF1A (0.38) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL10670001 0.71 HIF1A (0.47) ADRB2LMNAHIF1ACYP2D6GALR3
SCHEMBL10663277 0.70 LMNA (0.48) LMNA
SCHEMBL10671458 0.70 CYP2D6 (0.43) ADRB2CYP2D6ADRB3
SCHEMBL10569784 0.64 MEN1 (0.46) ADRB2LMNAOPRM1CYP2D6ADRB1
SCHEMBL10669676 0.62 ADRB1 (0.51) ADRB2LMNAHIF1AGALR3ADRB1
SCHEMBL9811836 0.61 TDP1 (0.44) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL10668073 0.57 MMP2 (0.46)

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-4721717-A α-(aminoalkylaminomethyl)phenylmethanols, composition containing them, and use thereof to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-01-26 US disclosed