SCHEMBL31662974

SCHEMBL31662974

Cc1cc(C#N)ccc1-n1ccc(-c2ccc(C=O)c(OC(F)F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.39
KCNH2 Q12809 2/20 0.35
GRM5 P41594 2/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GRIN1 Q05586 3/20 0.32
GRIN2B Q13224 3/20 0.32
PDE4A P27815 2/20 0.30
PDE4B Q07343 2/20 0.30
PDE4C Q08493 2/20 0.30
PDE4D Q08499 2/20 0.30
PDE3B Q13370 2/20 0.30
PDE3A Q14432 2/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL31662978 0.84 DRD1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31663309 0.84 GRIN2B (0.36) KCNH2GRM5CYP11B1CYP11B2GRIN1
SCHEMBL31663302 0.76 PHGDH (0.34) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL31663325 0.76 PTGS2 (0.37) KCNH2GRIN1GRIN2BLMNACYP1A2
SCHEMBL31662976 0.75 POLB (0.39) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL31663008 0.75 DRD1 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31663007 0.75 MEN1 (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31663136 0.71 PDE4D (0.35) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL31662955 0.68 SMN1; SMN2 (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31662923 0.67 PDE4A (0.48) KCNH2GRIN2BPDE4APDE4BPDE4C

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
WO-2025149498-A1 BENZYLPIPERIDINE DERIVATIVES AS TRP4 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2025-07-17 WO disclosed