SCHEMBL29386829

SCHEMBL29386829

CC1(NC(=O)N2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CCN2CCC1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HSD17B10 Q99714 6/20 0.41
▸ USP2 O75604 5/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ SLC6A7 Q99884 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ PKM P14618 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39

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
SCHEMBL16933422 1.00 MAPK1 (0.43) MAPK1HTR1AHTR7HSD17B10USP2
SCHEMBL29384402 0.92 USP2 (0.49) MAPK1HSD17B10USP2CYP3A4CYP1A2
SCHEMBL16933573 0.92 USP2 (0.49) MAPK1HSD17B10USP2CYP3A4CYP1A2
SCHEMBL16933590 0.88 VCP (0.44) MAPK1HTR1AHTR7HSD17B10USP2
SCHEMBL29387121 0.88 VCP (0.44) MAPK1HTR1AHTR7HSD17B10USP2
SCHEMBL29387755 0.86 DHFR (0.40) MAPK1HSD17B10USP2CYP3A4CYP1A2
SCHEMBL15579452 0.86 DHFR (0.40) MAPK1HSD17B10USP2CYP3A4CYP1A2
SCHEMBL16933655 0.86 HTR1A (0.40) MAPK1HTR1AHTR7HSD17B10USP2
SCHEMBL29387407 0.86 HTR1A (0.40) MAPK1HTR1AHTR7HSD17B10USP2
SCHEMBL16933676 0.85 USP2 (0.46) MAPK1HTR1AHSD17B10USP2CYP3A4

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
CN-114533729-A Glucosylceramide synthase inhibitors 建新公司 2022-05-27 — — CN disclosed
CN-108864076-B Glucosylceramide synthase inhibitors 建新公司 2022-02-11 — — CN disclosed
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