SCHEMBL7841533

SCHEMBL7841533

C=CCn1c(-c2cccnc2)nn(CN2CCN(c3cccc(C)c3C)CC2)c1=S

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 4/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
OPRD1 P41143 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7829462 0.86 DRD2 (0.47) GSK3BLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL8039770 0.84 OPRD1 (0.42) GSK3BLMNAGAAALDH1A1MEN1
SCHEMBL7837060 0.84 OPRD1 (0.38) POLBLMNAGAATDP1ALDH1A1
SCHEMBL7839123 0.84 HTR1A (0.42)
SCHEMBL7844713 0.83 GSK3B (0.47) GSK3BPOLBLMNAGAAHPGD
SCHEMBL7840083 0.82 GSK3B (0.50) GSK3BPOLBTP53ALDH1A1MEN1
SCHEMBL7839816 0.76 ADRA1D (0.49)
SCHEMBL7840554 0.76 GSK3B (0.46) GSK3BOPRD1
SCHEMBL7840038 0.76 PTK2 (0.46) GAAHPGDALDH1A1MAPTTSHR
SCHEMBL7838166 0.76 DRD2 (0.49) GSK3BTP53ALDH1A1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839144-B1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL GMBH (DE) 2001-09-19 EP claimed
EP-0839144-A1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP claimed
WO-1997003067-A1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO claimed
US-6114334-A CENTRAL NERVOUS SYSTEM DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
EP-0839144-A1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997003067-A1 PIPERAZINE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed