SCHEMBL7906301

SCHEMBL7906301

CC(N)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.63
ADRA1A P35348 20/20 0.63
ADRA1B P35368 20/20 0.63
ADRB2 P07550 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
DRD2 P14416 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
DRD1 P21728 1/20 0.56
DRD4 P21917 1/20 0.56
PTGS1 P23219 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
HTR7 P34969 1/20 0.56
HRH1 P35367 1/20 0.56
OPRM1 P35372 1/20 0.56
DRD3 P35462 1/20 0.56
HTR2B P41595 1/20 0.56
SLC6A3 Q01959 1/20 0.56

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
SCHEMBL19730570 1.00 ADRA1D (0.63) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL10064583 0.88 ADRA1D (0.56) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL10182835 0.86 ADRA1D (0.49) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL20032557 0.83 ADRA1D (0.50) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL10064198 0.83 ADRA1D (0.47) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL10030745 0.82 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL12817758 0.80 ADRA1D (0.43) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL12817722 0.80 ADRA1D (0.43) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL16422027 0.79 ADRA1D (1.00) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL16422025 0.77 ADRA1D (1.00) ADRA1DADRA1AADRA1BADRB2HTR1A

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-1094826-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ALPHA-1A ADRENERGIC RECEPTORS Advanced Medicine, Inc. (US) 2001-05-02 EP disclosed
WO-1999064042-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ALPHA-1A ADRENERGIC RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed