SCHEMBL24968803

SCHEMBL24968803

Nc1cccc(OCC2CCC(F)(F)CC2)c1N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.42
▸ DCPS Q96C86 2/20 0.38
▸ DHFR P00374 1/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ SCN9A Q15858 4/20 0.37
▸ HTR2C P28335 4/20 0.37
▸ SCN5A Q14524 2/20 0.37
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2B P41595 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
SCHEMBL10503371 0.87 MCHR1 (0.48) MCHR1DCPSDHFRRIPK1HTR2C
SCHEMBL20472331 0.78 RIPK1 (0.49) MCHR1RIPK1SCN9AHTR2CSCN5A
SCHEMBL29786503 0.78 RIPK1 (0.49) MCHR1RIPK1SCN9AHTR2CSCN5A
SCHEMBL24074790 0.75 CYP3A4 (0.46) —
SCHEMBL24018847 0.75 RIPK1 (0.52) RIPK1SCN9ASCN5AKDM5AKDM4C
SCHEMBL24968796 0.74 SCN9A (0.42) SCN9AHTR2CSCN5AKDM5AKDM4C
SCHEMBL20554482 0.73 HSP90AA1 (0.40) MCHR1HTR2CKDM5AKDM4CKDM5B
SCHEMBL3798519 0.73 ALDH1A1 (0.53) MCHR1DCPSDHFRRIPK1HTR2C
SCHEMBL23493020 0.73 ALDH1A1 (0.53) MCHR1DCPSDHFRRIPK1HTR2C
SCHEMBL24968800 0.72 CDK2 (0.38) MCHR1DCPSDHFRSCN9ASCN5A

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
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 — — WO disclosed
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 — — WO disclosed
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