SCHEMBL25426239

SCHEMBL25426239

CN1CCC=C(c2c[nH]c3c(C(F)(F)F)cccc23)C1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.59
AR P10275 1/20 0.40
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL25246666 0.89 HTR2A (0.57) HTR2A
SCHEMBL25769697 0.84 HTR2A (0.70) HTR2A
SCHEMBL25242657 0.82 HTR2A (0.60) HTR2AAR
SCHEMBL25250221 0.82 HTR2A (0.60) HTR2AKDM4EHSD17B10
SCHEMBL30548025 0.81 HTR2A (0.66) HTR2AAR
SCHEMBL25288178 0.81 HTR2A (0.66) HTR2AAR
SCHEMBL25771290 0.81 HTR2A (0.59) HTR2A
SCHEMBL25298709 0.79 HTR2A (0.57) HTR2A
SCHEMBL25255683 0.79 HTR2A (0.57) HTR2A
SCHEMBL25290785 0.79 HTR2A (0.57) HTR2AKDM4EHSD17B10

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