SCHEMBL9558654

SCHEMBL9558654

O=c1nc(-c2ccc(F)cc2)c2c([nH]1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.42
HTR2C P28335 7/20 0.42
HTR2B P41595 7/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
PDE9A O76083 1/20 0.41
HPGD P15428 3/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH2 P25021 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL9558886 0.97 HTR2A (0.42) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL7328468 0.72 MAPT (0.54) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL28800723 0.71 MAPT (0.52) HTR2AHPGDPOLBNPC1RAB9A
SCHEMBL8094738 0.69 GABRA2 (0.61)
SCHEMBL1252469 0.69 PARP1 (0.66) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL11407410 0.68 PARP1 (0.64) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL13982464 0.66 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1TP53MAPT
SCHEMBL4715817 0.66 MAPT (0.41) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL9558689 0.66 HTR2A (0.47) HTR2AHTR2CHTR2BHPGDPOLB
SCHEMBL6329236 0.66 KDM4E (0.76) HPGDNPC1RAB9ASMN1; SMN2KDM4E

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