SCHEMBL11679405

SCHEMBL11679405

CC(C)N1CCOC(CN2c3ccccc3C=Cc3ccccc32)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.53
▸ KCNH2 Q12809 2/20 0.42
▸ CCR2 P41597 1/20 0.42
▸ SLC6A2 P23975 2/20 0.37
▸ HTR1A P08908 4/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ P2RX1 P51575 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ERBB2 P04626 1/20 0.34
▸ EPHA2 P29317 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ DRD2 P14416 3/20 0.34

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
SCHEMBL11681952 0.90 HRH3 (0.43) HRH3KCNH2CCR2SLC6A2HTR1A
SCHEMBL11678119 0.86 HRH3 (0.41) HRH3KCNH2CCR2SLC6A2MEN1
SCHEMBL11677590 0.85 HRH3 (0.53) HRH3KCNH2CCR2SLC6A2HTR1A
SCHEMBL11678752 0.83 SLC6A2 (0.53) HRH3KCNH2SLC6A2HTR1ACHRM2
SCHEMBL11681058 0.81 KCNH2 (0.42) HRH3KCNH2CCR2SLC6A2HTR1A
SCHEMBL11679967 0.78 MTNR1A (0.41) SLC6A2P2RX1P2RX3P2RX4P2RX7
SCHEMBL11678564 0.77 SLC6A2 (0.35) HRH3KCNH2SLC6A2HTR1ACHRM2
SCHEMBL11680933 0.77 DRD2 (0.39) HRH3KCNH2SLC6A2HTR1ACHRM2
SCHEMBL11550207 0.77 HRH3 (0.53) HRH3KCNH2CCR2SLC6A2HTR1A
SCHEMBL11681955 0.76 DRD2 (0.53) HRH3KCNH2SLC6A2HTR1ACHRM2

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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