SCHEMBL7333458

SCHEMBL7333458

CCN1CCN(c2cc(-c3ccc(OC)cc3)c3c(n2)CCCCCC3)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.77
HTR2A P28223 5/20 0.77
ACP1 P24666 3/20 0.52
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
HRH3 Q9Y5N1 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ACHE P22303 1/20 0.43
HRH2 P25021 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MCHR1 Q99705 2/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PTBP1 P26599 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL7334897 0.87 DRD2 (1.00) DRD2HTR2AACP1ALDH1A1KMT2A
SCHEMBL7335126 0.87 DRD2 (0.80) DRD2HTR2AACP1ALDH1A1KMT2A
Blonanserin SCHEMBL119669 0.87 DRD2 (1.00) DRD2HTR2AACP1ALDH1A1KMT2A
Blonanserin SCHEMBL29379647 0.87 DRD2 (1.00) DRD2HTR2AACP1ALDH1A1KMT2A
SCHEMBL7333811 0.86 DRD2 (0.79) DRD2HTR2AALDH1A1MAPTLMNA
SCHEMBL7358974 0.85 DRD2 (0.77) DRD2HTR2AALDH1A1MAPTLMNA
SCHEMBL7333157 0.83 DRD2 (0.93) DRD2HTR2AALDH1A1MAPTLMNA
SCHEMBL7326283 0.78 DRD2 (0.84) DRD2HTR2AALDH1A1MEN1KMT2A
SCHEMBL7333664 0.78 DRD2 (0.76) DRD2HTR2AALDH1A1MAPTLMNA
SCHEMBL7325078 0.77 HTR2A (0.80) DRD2HTR2AMAPTLMNAHRH3

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-0385237-B1 2-(1-piperazinyl)-4-phenylcycloalkanopyridine derivatives, processes for the production thereof, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO (JP) 1994-06-29 EP disclosed
US-5021421-A Psychotropic agents DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-06-04 US disclosed
EP-0385237-A2 2-(1-piperazinyl)-4-phenylcycloalkanopyridine derivatives, processes for the production thereof, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1990-09-05 EP disclosed