SCHEMBL29952349

SCHEMBL29952349

c1cc2c3c(ccc2s1)CCCO3

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.33
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL18527327 0.89 PARP1 (0.35) TAAR1
SCHEMBL18527279 0.73 CYP2A6 (0.35)
SCHEMBL19756700 0.72 CHRNA7 (0.37) TAAR1HTR2AHTR2CHTR2B
SCHEMBL26760652 0.71 BCL2L1 (0.35) TAAR1
SCHEMBL19756607 0.69
SCHEMBL29910203 0.68 NFKB1 (0.40)
SCHEMBL1971305 0.68 NFKB1 (0.40)
SCHEMBL29951613 0.67
SCHEMBL29958302 0.67 HTR2A (0.44) HTR2AHTR2CHTR2B
SCHEMBL13550 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed