SCHEMBL22981640

SCHEMBL22981640

CCCc1cnc(CC(C)C)c(CCC)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.34
▸ DHFR P00374 6/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL16414541 0.79 PRMT5 (0.36) PDE10ADHFRNPC1TP53PKM
SCHEMBL9812234 0.79 PDE10A (0.38) PDE10ADHFRGABRA1GABRB2NPC1
SCHEMBL27997950 0.74 PTGS2 (0.36) NPC1TP53RAB9ASMN1; SMN2HSD17B10
SCHEMBL16414550 0.72 DHFR (0.34) DHFRNPC1TP53PKMRAB9A
SCHEMBL21690806 0.72 NPC1 (0.36) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL23346613 0.70 CRHR1 (0.35) PDE10AHSD17B10
SCHEMBL15316716 0.68 SMN1; SMN2 (0.40) PDE10ANPC1TP53PKMRAB9A
SCHEMBL22961170 0.67 NOS3 (0.37) DHFRNPC1TP53PKMRAB9A
SCHEMBL16182674 0.67 GABRA1 (0.50) DHFRGABRA1GABRB2NPC1RAB9A
SCHEMBL10981034 0.67 ATM (0.39) PDE10ADHFRNPC1TP53PKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4164481-B1 A DEVICE FOR MEASURING VOLATILE MARKERS IN BREATH NANOSE MEDICAL LTD (IL) 2024-10-16 — — EP disclosed
EP-4164481-A1 A DEVICE FOR MEASURING VOLATILE MARKERS IN BREATH Nanose Medical Ltd (IL) 2023-04-19 — — EP disclosed
EP-4013302-A1 SYSTEM AND METHOD FOR DETERMINING ONSET AND DISEASE PROGRESSION Respiration Scan Ltd (IL) 2022-06-22 — — EP disclosed
WO-2021250674-A1 A DEVICE FOR MEASURING VOLATILE MARKERS IN BREATH NANOSE MEDICAL LTD (IL) 2021-12-16 — — WO disclosed
WO-2021028928-A1 SYSTEM AND METHOD FOR DETERMINING ONSET AND DISEASE PROGRESSION RESPIRATION SCAN LTD (IL) 2021-02-18 — — WO disclosed
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