SCHEMBL25240403

SCHEMBL25240403

Clc1cccc2c(C3=CCCNC3)c[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.56
HTR6 P50406 5/20 0.46
AR P10275 1/20 0.44
DYRK1A Q13627 3/20 0.42
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
TAAR1 Q96RJ0 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
SCHEMBL25286345 0.92 HTR2A (0.47) HTR2AHTR6ARDYRK1ATAAR1
SCHEMBL25290621 0.85 AR (0.46) HTR2AARDYRK1AHTR2CTAAR1
SCHEMBL25246712 0.83 HTR2A (0.63) HTR2AARHTR2CHTR2B
SCHEMBL31357926 0.83 HTR2A (0.49) HTR2AHTR6HTR2CHTR2B
SCHEMBL25285910 0.80 HTR2A (0.49) HTR2AHTR6HTR2CHTR2B
SCHEMBL25293469 0.80 HTR2A (0.65) HTR2AHTR6ARDYRK1AHTR2C
SCHEMBL31358090 0.78 HTR2A (0.60) HTR2AHTR6AR
SCHEMBL31358038 0.78 HTR2A (0.53) HTR2AHTR6HTR2CHTR2B
SCHEMBL654975 0.77 HTR2C (0.61) HTR2AHTR6ARDYRK1AHTR2C
SCHEMBL31295140 0.76 HTR2A (0.65) HTR2AHTR6HTR2CHTR2B

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