SCHEMBL30424397

SCHEMBL30424397

CN(C)c1nc(N2CCC3(CCCC(=O)N3c3ccc(F)c(F)c3)CC2)cc(-n2cccn2)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 6/20 0.39
HCRTR1 O43613 5/20 0.31
HCRTR2 O43614 5/20 0.31
NAPEPLD Q6IQ20 1/20 0.31
KCNH2 Q12809 1/20 0.30
LTC4S Q16873 1/20 0.30
GBA1 P04062 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL24253942 1.00 KDM6B (0.39) KDM6BHCRTR1HCRTR2NAPEPLDKCNH2
SCHEMBL24253862 0.91 KDM6B (0.40) KDM6BHCRTR1HCRTR2KCNH2LTC4S
SCHEMBL30423904 0.91 KDM6B (0.40) KDM6BHCRTR1HCRTR2KCNH2LTC4S
SCHEMBL24253944 0.88 KDM6B (0.39) KDM6BHCRTR1HCRTR2KCNH2LTC4S
SCHEMBL24253622 0.87 KDM6B (0.39) KDM6BHCRTR1HCRTR2KCNH2LTC4S
SCHEMBL30423911 0.87 KDM6B (0.39) KDM6BHCRTR1HCRTR2KCNH2LTC4S
SCHEMBL24253939 0.87 KDM6B (0.39) KDM6BHCRTR1HCRTR2KCNH2LTC4S
SCHEMBL30423987 0.85 HTT (0.40) KDM6BHCRTR1HCRTR2GBA1
SCHEMBL24253831 0.85 HTT (0.40) KDM6BHCRTR1HCRTR2GBA1
SCHEMBL24253541 0.78 F10 (0.32) KDM6BHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4196478-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2023-06-21 EP claimed
CN-116157404-A Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof 诺华股份有限公司 2023-05-23 CN claimed
EP-4196478-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2023-06-21 EP disclosed
CN-116157404-A Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof 诺华股份有限公司 2023-05-23 CN disclosed