SCHEMBL7898534

SCHEMBL7898534

N[C@H]1CC[C@H](N2CCN(c3ncccn3)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
DRD3 P35462 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.43
DRD4 P21917 3/20 0.43
DPP4 P27487 2/20 0.43
HTR1A P08908 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL7902268 1.00 DRD2 (0.44) DRD2DRD3LMNAMAPTKDM4E
SCHEMBL7458987 1.00 DRD2 (0.44) DRD2DRD3LMNAMAPTKDM4E
SCHEMBL19035629 0.91 LMNA (0.52) DRD2DRD3LMNAMAPTKDM4E
SCHEMBL19035590 0.84 DPP4 (0.50) DRD2DRD3LMNAMAPTKDM4E
SCHEMBL7469756 0.83 KDM4E (0.47) DRD2DRD3LMNAMAPTKDM4E
SCHEMBL7897457 0.83 KDM4E (0.47) DRD2DRD3LMNAMAPTKDM4E
SCHEMBL2070684 0.81 KDM4E (0.56) LMNAMAPTKDM4ECYP2C19ALDH1A1
SCHEMBL9203045 0.81 HTR1A (0.56) HTR1A
SCHEMBL3879984 0.81 HTR1A (0.56) HTR1A
SCHEMBL9201106 0.81 HTR1A (0.56) HTR1A

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