SCHEMBL29923614

SCHEMBL29923614

CCc1ccc2c(c1)C=CCN2C1CNC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.38
HTR2B P41595 7/20 0.38
HTR2A P28223 5/20 0.38
BRD4 O60885 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
SCHEMBL29923722 0.76 BRD4 (0.38) BRD4
SCHEMBL11824656 0.65 HTR2C (0.59) HTR2CHTR2BHTR2A
SCHEMBL11822500 0.62 HTR2C (0.59) HTR2CHTR2BHTR2A
SCHEMBL13262199 0.60 TOP1 (0.40)
SCHEMBL6904988 0.60 TRPA1 (0.38) HTR2CHTR2BHTR2ABRD4
SCHEMBL8738571 0.60 ALDH1A1 (0.35) BRD4
SCHEMBL24451866 0.58 RAD52 (0.48) HTR2CHTR2BHTR2A
SCHEMBL9261043 0.58 BRD4 (0.36) BRD4
SCHEMBL10242603 0.57 TNKS2 (0.41)
SCHEMBL12319722 0.57 PARP1 (0.41) BRD4

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-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed