SCHEMBL11679331

SCHEMBL11679331

CC(C)CN1CCOC(CN2c3ccccc3CCc3ccccc32)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
CACNA1B Q00975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL11678636 0.86 HRH3 (0.41)
SCHEMBL11677590 0.82 HRH3 (0.53) SLC22A1CHRM2HTR1AADRA2ACHRM1
SCHEMBL11677581 0.82 SIGMAR1 (0.41)
SCHEMBL11680001 0.81 DRD4 (0.59) CHRM2CHRM1DRD3CYP3A4CYP2D6
SCHEMBL11680936 0.81 CHRM2 (0.40) CHRM2CHRM1DRD3
SCHEMBL11678169 0.81 SLC6A1 (0.42)
SCHEMBL11680549 0.81 SLC6A2 (0.53) SLC22A1CHRM2HTR1AADRA2ACHRM1
SCHEMBL11681406 0.81 HRH3 (0.43) SLC22A1CHRM2HTR1AADRA2ACHRM1
SCHEMBL11678233 0.80 SIGMAR1 (0.44)
SCHEMBL7608772 0.80 ALDH1A1 (0.41)

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-4017621-A 2-Morpholinyl tricyclic dibenzazepine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-04-12 US disclosed