SCHEMBL25243167

SCHEMBL25243167

Cc1cccc2c(C3=CCCNC3)n[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.63
HTR2C P28335 5/20 0.63
HTR2B P41595 5/20 0.63
HTR7 P34969 1/20 0.36
KIF11 P52732 1/20 0.35

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
SCHEMBL25293535 0.84 HTR2A (0.62) HTR2AHTR2CHTR2B
SCHEMBL25245902 0.84 HTR2A (0.62) HTR2AHTR2CHTR2B
SCHEMBL25285776 0.84 HTR2A (0.58) HTR2AHTR2CHTR2B
SCHEMBL25288251 0.84 HTR2A (0.67) HTR2AHTR2CHTR2B
SCHEMBL25774281 0.82 HTR2A (0.55) HTR2AHTR2CHTR2B
SCHEMBL31358085 0.81 HTR2A (0.58) HTR2AHTR2CHTR2B
SCHEMBL25293945 0.81 HTR2A (0.58) HTR2AHTR2CHTR2B
SCHEMBL25293441 0.80 HTR2A (0.70) HTR2AHTR2CHTR2B
SCHEMBL31358003 0.80 HTR2A (0.50) HTR2AHTR2CHTR2B
SCHEMBL25244788 0.78 HTR2A (1.00) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
WO-2023114472-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-06-22 WO disclosed
WO-2023114472-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-06-22 WO disclosed