SCHEMBL7376178

SCHEMBL7376178

NC1Cc2cccc3ncn(c23)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.62
DRD3 P35462 5/20 0.62
HTR1A P08908 6/20 0.56
PARP1 P09874 1/20 0.36
HTR3A P46098 1/20 0.34
PLAU P00749 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
FGFR1 P11362 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
Hydrochloric Acid SCHEMBL7343645 0.98 DRD2 (0.61) DRD2DRD3HTR1APARP1HTR3A
SCHEMBL3222580 0.77 DRD2 (1.00) DRD2DRD3HTR1APARP1SLC6A2
SCHEMBL7343813 0.77 DRD2 (1.00) DRD2DRD3HTR1APARP1SLC6A2
SCHEMBL6483129 0.77 DRD2 (1.00) DRD2DRD3HTR1APARP1SLC6A2
SCHEMBL9204124 0.76 DRD2 (0.57) DRD2DRD3HTR1APARP1HTR3A
SCHEMBL9124998 0.75 DRD2 (0.56) DRD2DRD3HTR1APARP1HTR3A
Hydrochloric Acid SCHEMBL7343783 0.74 DRD2 (0.39) DRD2DRD3HTR1A
SCHEMBL7348495 0.74 DRD2 (0.58) DRD2DRD3HTR1APARP1HTR3A
SCHEMBL7354359 0.73 DRD2 (0.53) DRD2DRD3HTR1APARP1HTR3A
SCHEMBL7342743 0.73 DRD2 (0.53) DRD2DRD3HTR1APARP1HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5436240-A Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines THE UPJOHN COMPANY (US) 1995-07-25 US disclosed
EP-0480939-B1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1995-01-25 EP disclosed
US-5273975-A Heterocyclic amines having central nervous system activity THE UPJOHN COMPANY (US) 1993-12-28 US disclosed
WO-1990015058-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-12-13 WO disclosed