SCHEMBL30323212

SCHEMBL30323212

Cn1ncc2ccc(NC(=O)c3ccccn3)cc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 12/20 0.54
▸ KDR P35968 2/20 0.54
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ USP2 O75604 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ MITF O75030 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL20524569 1.00 GRM4 (0.54) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL22712288 0.85 GRM4 (0.52) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL30323180 0.85 GRM4 (0.52) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL4898390 0.78 TRPV1 (0.52) GRM4NPC1RAB9ATRPV1MAPT
SCHEMBL30006626 0.78 MAPT (0.53) NPC1RAB9ASMN1; SMN2KDM4ETRPV1
SCHEMBL30904872 0.77 KDR (0.84) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL19662769 0.77 KMT2A (0.61) NPC1RAB9ATP53
SCHEMBL4032270 0.76 KIT (0.53) KDR
SCHEMBL3878184 0.76 KIT (0.62) KDR
SCHEMBL20769948 0.76 KDM4E (0.54) NPC1RAB9ASMN1; SMN2KDM4ELMNA

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
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 — — CN disclosed
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