SCHEMBL11680933

SCHEMBL11680933

C1=Cc2ccccc2N(CC2CN(CC3CC3)CCO2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ DRD4 P21917 6/20 0.39
▸ SLC6A2 P23975 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ OPRM1 P35372 2/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ DRD3 P35462 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ HTR2A P28223 1/20 0.36

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
SCHEMBL11681058 0.86 KCNH2 (0.42) DRD2HTR1AHTR6DRD4SLC6A2
SCHEMBL11677581 0.85 SIGMAR1 (0.41) DRD4SIGMAR1
SCHEMBL11681955 0.84 DRD2 (0.53) DRD2HTR1AHTR6DRD4SLC6A2
SCHEMBL11678752 0.83 SLC6A2 (0.53) DRD2HTR1AHTR6SLC6A2CYP1A2
SCHEMBL11681427 0.82 DRD4 (0.39) DRD2HTR1AHTR6DRD4SLC6A2
SCHEMBL11680405 0.82 DRD2 (0.37) DRD2HTR1AHTR6DRD4SLC6A2
SCHEMBL11678344 0.82 SIGMAR1 (0.40) DRD4SLC6A2CYP1A2CYP2C9OPRM1
SCHEMBL11677689 0.80 EPHA2 (0.38) DRD2HTR1AHTR6DRD4SLC6A2
SCHEMBL11678564 0.77 SLC6A2 (0.35) DRD2HTR1AHTR6DRD4SLC6A2
SCHEMBL11679405 0.77 HRH3 (0.53) DRD2HTR1AHTR6SLC6A2CYP1A2

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
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