SCHEMBL25246712

SCHEMBL25246712

Cc1cccc2c(C3=CCCNC3)c[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.63
AR P10275 7/20 0.45
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
DRD2 P14416 1/20 0.40
BRPF1 P55201 1/20 0.40

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
SCHEMBL25240403 0.83 HTR2A (0.56) HTR2AARHTR2CHTR2B
SCHEMBL31357926 0.83 HTR2A (0.49) HTR2AHTR2CHTR2B
SCHEMBL25285910 0.82 HTR2A (0.49) HTR2AHTR2CHTR2B
SCHEMBL25293469 0.82 HTR2A (0.65) HTR2AARHTR2CHTR2B
SCHEMBL8959970 0.78 HTR2A (0.59) HTR2AHTR2CHTR2B
SCHEMBL7865138 0.77 HTR2C (0.61) HTR2AARHTR2CDRD2
SCHEMBL25293913 0.77 HTR2A (1.00) HTR2AHTR2CHTR2BDRD2
SCHEMBL31295140 0.76 HTR2A (0.65) HTR2AHTR2CHTR2BDRD2
SCHEMBL31358140 0.75 HTR2A (0.53) HTR2AARHTR2CHTR2B
SCHEMBL25242657 0.75 HTR2A (0.60) HTR2AARDRD2

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