SCHEMBL9368019

SCHEMBL9368019

COc1ccccc1N1CCN(CCCCC2CNc3ccccc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.63
HTR1A P08908 3/20 0.59
DRD2 P14416 2/20 0.58
SIGMAR1 Q99720 2/20 0.58
DRD3 P35462 1/20 0.57
MEN1 O00255 2/20 0.56
HTR7 P34969 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 3/20 0.55
ADRA1D P25100 2/20 0.55
ADRA1A P35348 2/20 0.55
ADRA1B P35368 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALOX12 P18054 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL9368237 0.92 DRD4 (0.56) DRD4HTR1ADRD2SIGMAR1DRD3
SCHEMBL9367716 0.90 LMNA (0.58) DRD4HTR1ADRD2SIGMAR1DRD3
SCHEMBL9373899 0.90 HTR1A (0.51) DRD4HTR1ADRD2SIGMAR1DRD3
SCHEMBL9369539 0.89 DRD4 (0.55) DRD4HTR1ADRD2SIGMAR1DRD3
SCHEMBL9368765 0.89 ADRA1D (0.53) DRD4DRD2SIGMAR1ADRA1DADRA1A
SCHEMBL9368409 0.88 DRD4 (0.59) DRD4HTR1ADRD2SIGMAR1DRD3
SCHEMBL6999552 0.84 DRD2 (0.58) DRD4DRD2MEN1KMT2AADRA1B
SCHEMBL9368605 0.84 ADRA1B (0.47) DRD4HTR1ADRD2DRD3HTR7
SCHEMBL9373742 0.83 HTR1A (0.49) DRD4HTR1ADRD2DRD3MEN1
SCHEMBL9368511 0.81 DRD4 (0.69) DRD4HTR1ADRD2SIGMAR1DRD3

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 6 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 claimed
US-5002948-A Central Nervous System Disorders H. LUNDBECK A/S (DK) 1991-03-26 US claimed
EP-0376607-A1 Piperazinyl derivatives H. LUNDBECK A/S (DK) 1990-07-04 EP claimed
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