SCHEMBL9689490

SCHEMBL9689490

CCNc1cccnc1N1CCN(CCCCCCOc2ccc(O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.50
MAOB P27338 6/20 0.49
DRD2 P14416 1/20 0.45

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
SCHEMBL10365750 0.95 HRH3 (0.48) HRH3MAOBDRD2
SCHEMBL9688153 0.91 DRD2 (0.52) HRH3DRD2
SCHEMBL10365748 0.86 HRH3 (0.47) HRH3MAOBDRD2
SCHEMBL9689528 0.84 PARP1 (0.47) DRD2
SCHEMBL9688155 0.84 PARP1 (0.47) DRD2
SCHEMBL9689437 0.84 PARP1 (0.47) DRD2
Hydrochloric Acid SCHEMBL9689424 0.83 PARP1 (0.46) DRD2
Hydrochloric Acid SCHEMBL9690356 0.83 PARP1 (0.46) DRD2
Hydrochloric Acid SCHEMBL9690279 0.83 PARP1 (0.46) DRD2
SCHEMBL9639730 0.81 PARP1 (0.48) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP claimed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP claimed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO claimed
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed