SCHEMBL25429043

SCHEMBL25429043

Cn1ccc(=O)c2ccc(-c3ccccc3Sc3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ SCN5A Q14524 5/20 0.35
▸ SCN9A Q15858 5/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2E1 P05181 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33

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
SCHEMBL25429629 0.80 TRPV1 (0.46) TRPV1MAPTSCN5ASCN9AMCHR1
SCHEMBL25952233 0.79 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL25429357 0.79 TP53 (0.42) TRPV1MAPTSCN5ASCN9AMCHR1
SCHEMBL25429595 0.77 TRPV1 (0.37) TRPV1SCN5ASCN9AMCHR1KIF11
SCHEMBL25430647 0.76 HSD17B10 (0.55) SLC6A2SLC6A4SLC6A3TRPV1KDM4E
Hydrochloric Acid SCHEMBL10631649 0.73 KIF11 (0.47) KDM4EMAPTSCN5ASCN9AKIF11
SCHEMBL30544058 0.72 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL25339003 0.72 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL25978187 0.71 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL25430599 0.69 PTGS2 (0.50) SLC6A2SLC6A4SLC6A3

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-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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