SCHEMBL25430475

SCHEMBL25430475

O=c1cc[nH]c2nc(-c3ccccc3Sc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.40
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ DHFR P00374 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ GRM5 P41594 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ MAOB P27338 2/20 0.34
▸ TYMS P04818 1/20 0.34
▸ C1R P00736 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HAO1 Q9UJM8 1/20 0.32

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
SCHEMBL25432084 0.80 HSD17B10 (0.46) HSD17B10SLC6A2SLC6A4SLC6A3DHFR
SCHEMBL25430366 0.79 TTBK1 (0.42) HSD17B10ADORA2AADORA1CYP1A2CYP3A4
SCHEMBL25430647 0.78 HSD17B10 (0.55) HSD17B10SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL25952233 0.76 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3DHFRHTR1A
SCHEMBL25430011 0.75 TTBK1 (0.41) HSD17B10ADORA2AADORA1TRPV1
SCHEMBL21145512 0.66 ADORA2A (0.57) HSD17B10ADORA2AADORA1TGFBR1KDM4E
SCHEMBL25431622 0.66 HSD17B10 (0.51) HSD17B10GRM5TGFBR1TRPV1
SCHEMBL25429043 0.65 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR1AHTR3A
SCHEMBL25955728 0.63 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3DHFRHTR1A
SCHEMBL25978187 0.62 SLC6A2 (0.50) HSD17B10SLC6A2SLC6A4SLC6A3DHFR

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
Send feedback