SCHEMBL11681069

SCHEMBL11681069

Clc1ccc2c(c1)N(CC1CNCCO1)c1ccccc1CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 7/20 0.46
▸ SLC6A3 Q01959 6/20 0.46
▸ SLC6A4 P31645 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ SLC22A1 O15245 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ ADRA2A P08913 1/20 0.46

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
SCHEMBL7832589 0.89 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4HTR2AHTR2C
SCHEMBL11679397 0.84 GRIN1 (0.44) SLC6A2SLC6A3SLC6A4HTR2AHTR2C
SCHEMBL11679389 0.84 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4CYP3A4HTR2A
SCHEMBL11678040 0.84 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4HTR2AHTR2C
SCHEMBL29485914 0.83 MEN1 (0.54) SLC6A2SLC6A3SLC6A4MEN1TP53
SCHEMBL14707071 0.83 MEN1 (0.54) SLC6A2SLC6A3SLC6A4MEN1TP53
SCHEMBL11680046 0.82 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL11678744 0.80 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL11678606 0.79 MEN1 (0.51) SLC6A2SLC6A3SLC6A4MEN1TP53
SCHEMBL11680286 0.76 DRD4 (0.54) SLC6A2SLC6A3SLC6A4MEN1TP53

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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