SCHEMBL7333643

SCHEMBL7333643

Fc1ccc(-c2cc(N3CCN(c4ccc(F)cc4)CC3)nc3c2CCCCCC3)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.75
HTR2A P28223 5/20 0.75
MAPT P10636 5/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 4/20 0.47
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7332229 0.89 DRD2 (0.77) DRD2HTR2AMAPTKDM4ELMNA
SCHEMBL7330537 0.86 HTR2A (0.70) DRD2HTR2AMAPTKDM4ELMNA
SCHEMBL7324018 0.86 HTR2A (0.70) DRD2HTR2AMAPTKDM4ELMNA
Blonanserin SCHEMBL119669 0.86 DRD2 (1.00) DRD2HTR2AMAPTKDM4ELMNA
SCHEMBL7331193 0.86 DRD2 (0.72) DRD2HTR2AMAPTKDM4EHSD17B10
Blonanserin SCHEMBL29379647 0.86 DRD2 (1.00) DRD2HTR2AMAPTKDM4ELMNA
SCHEMBL7334897 0.86 DRD2 (1.00) DRD2HTR2AMAPTKDM4ELMNA
SCHEMBL7325331 0.86 DRD2 (0.69) DRD2HTR2AMAPTKDM4ELMNA
SCHEMBL7332879 0.85 HTR2A (0.68) DRD2HTR2AMAPTKDM4ELMNA
SCHEMBL7328947 0.85 HTR2A (0.71) DRD2HTR2A

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