SCHEMBL11272020

SCHEMBL11272020

CCCN(Cc1cc(C(=O)OCCOC(C)=O)cc(Br)c1N)C1CCCCC1.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ AR P10275 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ TP53 P04637 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11258833 0.97 DRD2 (0.34) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL11264372 0.96 DRD2 (0.34) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL11262419 0.94 MEN1 (0.33) SLC6A2SLC6A4ABCB11ADORA3AR
SCHEMBL11252916 0.94 MEN1 (0.33) SLC6A2SLC6A4ABCB11ADORA3AR
SCHEMBL11255797 0.94 KMT2A (0.32) SLC6A2SLC6A4ABCB11ADORA3AR
SCHEMBL11265397 0.93 TP53 (0.34) DRD2DRD3DRD4SLC6A2CYP2D6
SCHEMBL11256440 0.91 TP53 (0.32) SLC6A2SLC6A4ABCB11ADORA3AR
SCHEMBL11262177 0.91 TP53 (0.32) SLC6A2SLC6A4ABCB11ADORA3AR
SCHEMBL11266996 0.91 TP53 (0.32) SLC6A2SLC6A4ABCB11ADORA3AR
SCHEMBL11261141 0.91 TP53 (0.36) DRD3SLC6A2CYP2D6SLC6A3KCNH2

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-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 — — US disclosed
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