SCHEMBL19670242

SCHEMBL19670242

CCN1CC[C@@H](C)N(C(=O)Nc2nc(C)c(C)s2)c2nc(-c3cccc(N4CCCC4)c3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC27A1 Q6PCB7 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ POLQ O75417 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ PKM P14618 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CNR1 P21554 2/20 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
SCHEMBL19670238 0.85 TRPA1 (0.38) TRPV3SMN1; SMN2MAPTNPSR1
SCHEMBL19669970 0.85 PIK3CA (0.36) SMN1; SMN2MAPTALDH1A1HTTNPSR1
SCHEMBL16775986 0.83 SLC27A1 (0.36) SLC27A1TRPV3SMN1; SMN2POLQCARM1
SCHEMBL17618488 0.83 POLQ (0.38) SLC27A1TRPV3KCNK3SMN1; SMN2ALDH1A1
SCHEMBL19670393 0.83 ABL1 (0.42) TRPV3SMN1; SMN2MAPTALDH1A1
SCHEMBL19670432 0.83 TRPV3 (0.34) TRPV3CARM1PRMT6PRMT8NPC1
SCHEMBL16776264 0.82 SLC27A1 (0.35) SLC27A1TRPV3SMN1; SMN2POLQCARM1
SCHEMBL19669985 0.82 KARS1 (0.43) TRPV3CARM1PRMT6PRMT8
SCHEMBL19670263 0.82 DHFR (0.37) TRPV3CARM1PRMT6PRMT8NPC1
SCHEMBL19670389 0.80 ROCK2 (0.35) TRPV3MAPTPOLQCARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
Send feedback