SCHEMBL9689529

SCHEMBL9689529

Oc1ccc(O)c(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 13/20 0.59
CASP5 P51878 13/20 0.59
CASP4 P49662 11/20 0.57
ACHE P22303 2/20 0.46
TSHR P16473 2/20 0.45
GFER P55789 1/20 0.45
KDM4E B2RXH2 1/20 0.43
APAF1 O14727 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL9689427 0.84 CASP1 (0.65) CASP1CASP5CASP4TSHRKDM4E
SCHEMBL11900784 0.75 MPO (0.54) CASP1CASP5CASP4TSHRMAPT
SCHEMBL6139027 0.73 CASP1 (0.56) CASP1CASP5CASP4TSHRKDM4E
SCHEMBL9690117 0.72 CASP1 (0.54) CASP1CASP5CASP4GAAMAPT
SCHEMBL10367766 0.72 CASP1 (0.56) CASP1CASP5CASP4TSHRKDM4E
SCHEMBL9755201 0.72 MEN1 (0.73) CASP1CASP5CASP4TSHRKDM4E
SCHEMBL29754406 0.72 CASP1 (0.80) CASP1CASP5CASP4KMT2ASMN1; SMN2
SCHEMBL9703381 0.71 LMNA (0.40) ACHETSHRGFERKDM4EGAA
SCHEMBL9688232 0.71 CASP1 (0.52) CASP1CASP5CASP4GAAMAPT
Hydrochloric Acid SCHEMBL9639434 0.71 KMT2A (0.71) CASP1CASP5CASP4KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP claimed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP claimed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO claimed
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed