SCHEMBL31712852

SCHEMBL31712852

NC(=O)c1ccc2ncc3c(c2c1)CCOC3

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.36
TSHR P16473 1/20 0.36
PDE5A O76074 1/20 0.36
GRM2 Q14416 1/20 0.34
PDE4B Q07343 2/20 0.34
CHEK2 O96017 1/20 0.34
ROCK2 O75116 1/20 0.33
PIR O00625 1/20 0.33
HTR1B P28222 1/20 0.33
NNMT P40261 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
APP P05067 1/20 0.32
HPGD P15428 1/20 0.32
TGFB1 P01137 1/20 0.32
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32
ATR Q13535 1/20 0.32

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
SCHEMBL26918319 0.88 IP6K1 (0.39) IP6K1TSHRPDE5APDE4BCHEK2
SCHEMBL29685869 0.88 IP6K1 (0.39) IP6K1TSHRPDE5APDE4BCHEK2
SCHEMBL31712871 0.81 NNMT (0.40) IP6K1PDE5ACHEK2HTR1BNNMT
SCHEMBL31712857 0.77 TSHR (0.42) IP6K1TSHRPDE5APDE4BCHEK2
SCHEMBL29106210 0.73 IP6K1 (0.38) IP6K1TSHRPDE5ACHEK2NNMT
SCHEMBL24159171 0.73 TSHR (0.47) TSHRPIRSMN1; SMN2
SCHEMBL7867810 0.73 TSHR (0.47) TSHRPIRSMN1; SMN2
SCHEMBL30041840 0.73 TSHR (0.47) TSHRPIRSMN1; SMN2
SCHEMBL29685367 0.72 IP6K1 (0.43) IP6K1SMN1; SMN2CCNCCDK8
SCHEMBL31172009 0.71 IP6K1 (0.36) IP6K1TSHRPDE5ACHEK2HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251624-B1 TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS AMGEN INC (US) 2025-10-29 EP claimed