SCHEMBL9368409

SCHEMBL9368409

COc1ccccc1N1CCN(CCCCC2CNc3cc(Cl)ccc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.59
DRD2 P14416 4/20 0.55
SIGMAR1 Q99720 3/20 0.55
HTR1A P08908 2/20 0.53
ADRA1A P35348 3/20 0.52
ADRA1D P25100 2/20 0.52
ADRA1B P35368 2/20 0.52
DRD3 P35462 2/20 0.51
CACNA1G O43497 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL9369539 0.93 DRD4 (0.55) DRD4DRD2SIGMAR1HTR1AADRA1A
SCHEMBL9368019 0.88 DRD4 (0.63) DRD4DRD2SIGMAR1HTR1AADRA1A
SCHEMBL9367716 0.85 LMNA (0.58) DRD4DRD2SIGMAR1HTR1ADRD3
SCHEMBL9368237 0.83 DRD4 (0.56) DRD4DRD2SIGMAR1HTR1AADRA1A
SCHEMBL9373899 0.79 HTR1A (0.51) DRD4DRD2SIGMAR1HTR1AADRA1A
SCHEMBL9368765 0.78 ADRA1D (0.53) DRD4DRD2SIGMAR1ADRA1AADRA1D
SCHEMBL9368511 0.77 DRD4 (0.69) DRD4DRD2SIGMAR1HTR1AADRA1A
SCHEMBL27715320 0.75 KCNH2 (0.72) DRD2SIGMAR1HTR1AADRA1ADRD3
SCHEMBL7343246 0.74 ADRA1A (0.55) DRD2HTR1AADRA1AADRA1DADRA1B
SCHEMBL9373232 0.74 DRD2 (0.56) DRD2HTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376607-B1 Piperazinyl derivatives LUNDBECK & CO AS H (DK) 1994-03-02 EP disclosed
US-5002948-A Central Nervous System Disorders H. LUNDBECK A/S (DK) 1991-03-26 US disclosed
EP-0376607-A1 Piperazinyl derivatives H. LUNDBECK A/S (DK) 1990-07-04 EP disclosed