SCHEMBL7902239

SCHEMBL7902239

Cn1nc(N[C@H]2CC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)CC2)c(=O)n(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 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
SCHEMBL7897454 1.00 POLB (0.45) POLBDRD2DRD3KCNH2KMT2A
SCHEMBL7897452 1.00 POLB (0.45) POLBDRD2DRD3KCNH2KMT2A
SCHEMBL7464063 0.85 POLB (0.45) POLBDRD2HTTALDH1A1SMN1; SMN2
SCHEMBL7472167 0.85 POLB (0.45) POLBDRD2HTTALDH1A1SMN1; SMN2
SCHEMBL7468722 0.85 POLB (0.45) POLBDRD2HTTALDH1A1SMN1; SMN2
SCHEMBL7897467 0.80 DRD2 (0.45) DRD2DRD3KMT2AALDH1A1MEN1
SCHEMBL7897473 0.80 DRD2 (0.45) DRD2DRD3KMT2AALDH1A1MEN1
SCHEMBL7898555 0.80 DRD2 (0.45) DRD2DRD3KMT2AALDH1A1MEN1
SCHEMBL7472153 0.79 KMT2A (0.42) POLBKMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL7464675 0.79 KMT2A (0.42) POLBKMT2AHTTALDH1A1SMN1; SMN2

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-6191130-B1 HYPOTENSIVE AGENTS; THERAPY FOR SEXUAL DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS PIERRE FABRE MEDICAMENT (FR) 2001-02-20 — — US disclosed
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