SCHEMBL29324358

SCHEMBL29324358

CCC1CC=C(c2ccc(OC3CCCC3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
CSNK2A1 P68400 2/20 0.33
CARM1 Q86X55 2/20 0.32
PRMT1 Q99873 2/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
RECQL P46063 1/20 0.31
ESR2 Q92731 1/20 0.30
POLB P06746 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
SCHEMBL29324369 0.91 NPY1R (0.35) NPY1RNPY2RPDE4APDE4BPDE4C
SCHEMBL29324383 0.89 NPY1R (0.32) NPY1RNPY2RCSNK2A1
SCHEMBL29324397 0.88 NPY1R (0.31) NPY1RNPY2RPDE4BPDE4DCSNK2A1
SCHEMBL29324674 0.88 CARM1 (0.33) NPY1RNPY2RCSNK2A1CARM1PRMT1
SCHEMBL26156694 0.85 CCNT1 (0.34) CCNT1CDK9ESR2
SCHEMBL29324418 0.84 CCNT1 (0.32) CCNT1CDK9
SCHEMBL9406310 0.84 ESR2 (0.39) CCNT1CDK9ESR2
SCHEMBL29324352 0.84 NPY1R (0.33) NPY1RNPY2RPDE4APDE4BPDE4C
SCHEMBL29324693 0.81 NPY1R (0.34) NPY1RNPY2RCARM1PRMT1
SCHEMBL29324705 0.80 CARM1 (0.31) NPY1RNPY2RCARM1PRMT1

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-4400561-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-07-17 EP disclosed