SCHEMBL13861968

SCHEMBL13861968

Cc1ccc(Cl)c(CN2CCC(N(C)C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM1A O60341 1/20 0.44
SCN1A P35498 4/20 0.42
SCN8A Q9UQD0 4/20 0.42
OPRM1 P35372 3/20 0.42
LTA4H P09960 1/20 0.41
DDR1 Q08345 2/20 0.39
CACNA1F O60840 2/20 0.39
CHRM1 P11229 2/20 0.39
ADRA1D P25100 2/20 0.39
HTR7 P34969 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39

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
SCHEMBL13861969 0.92 MEN1 (0.50) MEN1POLBKMT2AOPRM1CACNA1F
SCHEMBL4371470 0.85 LTA4H (0.41) KDM1ASCN1ASCN8ALTA4HDDR1
SCHEMBL14924484 0.81 SCN1A (0.49) MEN1POLBKMT2AKDM1ASCN1A
SCHEMBL4369274 0.80 ALDH1A1 (0.65) MEN1KMT2ASCN1ASCN8ADDR1
SCHEMBL14924455 0.80 LTA4H (0.55) MEN1POLBKMT2ALTA4HALDH1A1
SCHEMBL18516568 0.80 LTA4H (0.55) MEN1POLBKMT2ALTA4HALDH1A1
SCHEMBL4369101 0.79 KDM4E (0.37) MEN1KMT2AKDM1ASCN1ASCN8A
SCHEMBL15381987 0.79 DDR1 (0.49) KDM1ADDR1
SCHEMBL13861970 0.77 MEN1 (0.52) MEN1POLBKMT2AKDM1AOPRM1
SCHEMBL13861967 0.76 KDM4E (0.60) MEN1POLBKMT2AOPRM1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed