SCHEMBL9558677

SCHEMBL9558677

CN1CCN(c2nc3c(c(-c4ccccc4)n2)CCCC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
USP2 O75604 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
POLB P06746 1/20 0.52
HRH4 Q9H3N8 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
ACHE P22303 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 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
SCHEMBL9558735 0.99 MAPT (0.57) MAPTKDM4EALDH1A1NPSR1USP2
SCHEMBL9558674 0.97 MAPT (0.58) MAPTKDM4EALDH1A1NPSR1USP2
SCHEMBL24698171 0.86 ALDH1A1 (0.54) MAPTKDM4EALDH1A1NPSR1POLB
SCHEMBL9558721 0.84 ALDH1A1 (0.59) KDM4EALDH1A1NPSR1CASP1CASP7
SCHEMBL9558892 0.83 LMNA (0.56) MAPTKDM4EALDH1A1NPSR1CASP1
SCHEMBL9559101 0.83 ALDH1A1 (0.58) KDM4EALDH1A1NPSR1USP2POLB
SCHEMBL9559080 0.83 ALDH1A1 (0.58) KDM4EALDH1A1NPSR1USP2POLB
SCHEMBL9558635 0.81 ALDH1A1 (0.59) KDM4EALDH1A1NPSR1USP2CASP1
SCHEMBL11399146 0.79 HRH4 (0.67) NPSR1POLBHRH4SMN1; SMN2HSD17B10
SCHEMBL11388985 0.76 HRH4 (0.67) HRH4SMN1; SMN2HSD17B10HTR3EHTR3B

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-5185338-A Medicament for treating cerebral insufficiency diseases, novel 2-(1-piperazinyl)-4-phenylcycloalkanopyrimidine derivatives, and process for the production thereof DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-02-09 US disclosed
EP-0484988-A1 2-(1-piperazinyl)-4-phenylcycloalkanopyrimidine derivatives and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-05-13 EP disclosed
US-5041443-A Medicament for treating cerebral insufficiency diseases, novel 2-(1-piperazinyl)-4-phenylcycloalkanopyrimidine derivatives, and process for the production thereof DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-08-20 US disclosed
EP-0384228-A1 Medicament for treating cerebral insufficiency diseases containing 2-(1-piperazinyl)-4-phenylcycloalkanopyrimidine derivatives, and process for the production thereof DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1990-08-29 EP disclosed