SCHEMBL25812404

SCHEMBL25812404

Bc1nc(C(F)(F)F)ccc1C=O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.32
P2RX7 Q99572 1/20 0.32
NT5E P21589 1/20 0.32
PDE4B Q07343 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GFER P55789 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
CCR1 P32246 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
SCHEMBL30971512 0.80 TRPV1 (0.40) PDE4BLMNATRPV1
SCHEMBL3772488 0.80 TRPV1 (0.40) PDE4BLMNATRPV1
SCHEMBL29685815 0.80 TRPV4 (0.32) TRPV4P2RX7NT5EPDE4BMEN1
SCHEMBL20771377 0.78 TRIM24 (0.41) TRPV4P2RX7NT5EPDE4BMEN1
SCHEMBL1085828 0.78 ALDH1A1 (0.41) TRPV4P2RX7NT5EPDE4BMEN1
SCHEMBL125558 0.78 PIK3CD (0.35) TRPV4P2RX7LMNA
SCHEMBL30695180 0.78 TRIM24 (0.41) TRPV4P2RX7NT5EPDE4BMEN1
SCHEMBL3779145 0.74 HCRTR1 (0.33) P2RX7PDE4BMEN1KMT2ALMNA
SCHEMBL30971780 0.74 PDE4B (0.39) NT5EPDE4BMEN1KMT2ALMNA
SCHEMBL1473840 0.74 ALDH1A1 (0.46) PDE4BMEN1KMT2ATRPV1

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-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 EP disclosed