SCHEMBL9601272

SCHEMBL9601272

NCCCCN1CCN(c2cnccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.57
HTR1A P08908 2/20 0.57
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2A P28223 1/20 0.47

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
SCHEMBL3137995 0.89 HRH3 (0.52) HRH3HTR1ADRD2DRD3
SCHEMBL23374607 0.80 HRH3 (0.55) HRH3HTR1ADRD2DRD3
SCHEMBL31140251 0.80 HRH3 (0.55) HRH3HTR1ADRD2DRD3
SCHEMBL3674703 0.79 KCNH2 (0.72) HRH3HTR1ADRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL3812906 0.78 KCNH2 (0.70) HRH3HTR1ADRD2DRD3HTR2A
SCHEMBL9602778 0.78 HTR2A (0.53) HTR1ADRD2HTR2A
SCHEMBL9558287 0.76 SORD (0.51) HRH3HTR1ADRD2DRD3
SCHEMBL10294622 0.76 SORD (0.51) HRH3HTR1ADRD2DRD3
SCHEMBL4447104 0.74 DRD2 (0.58) HRH3HTR1ADRD2DRD3HTR2A
SCHEMBL9526311 0.74 HTR1A (0.58) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309544-B1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-10 EP disclosed
US-5053508-A Anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-10-01 US disclosed
EP-0286263-B1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-15 EP disclosed
US-4824999-A INTERMEDIATES FOR ANTIPSYCHOTIC AND ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-25 US disclosed
EP-0309544-A1 PSYCHOTROPIC BICYCLIC IMIDES. AMERICAN HOME PROD (US) 1989-04-05 EP disclosed
US-4804751-A ANTIPSYCHOTIC, ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-02-14 US disclosed
US-4797488-A N-((4-(PHENYL OR HETEROCYCLIC)PIPERAZIN-1-YL)ALKYL)-1,5-METHANOCYCLOPENT(D)AZEPINE-2,4 -DIONES; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-10 US disclosed
EP-0286263-A1 Psychotropic polycyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-12 EP disclosed
WO-1988007530-A1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO disclosed
WO-1988007529-A1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO disclosed
US-4748240-A Psychotropic bicyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 US disclosed
US-4732983-A Pyschotropic polycyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-03-22 US disclosed