SCHEMBL30423960

SCHEMBL30423960

O=C1CCCC2(CCN(c3ccnc(N4CC5(CC5)C4)n3)CC2)N1c1ccc(Cl)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
KCNH2 Q12809 1/20 0.33
LTC4S Q16873 1/20 0.33
EIF2AK4 Q9P2K8 2/20 0.32
ACACB O00763 1/20 0.31
AOC3 Q16853 1/20 0.31
CACNA1H O95180 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
PTPN11 Q06124 1/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP3A4 P08684 2/20 0.30
HSD17B10 Q99714 2/20 0.30
CYP11B2 P19099 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CCND3 P30281 1/20 0.30
CDK6 Q00534 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
SCHEMBL24253828 1.00 HCRTR1 (0.33) HCRTR1HCRTR2KCNH2LTC4SEIF2AK4
SCHEMBL24253827 0.96 AOC3 (0.33) HCRTR1HCRTR2KCNH2LTC4SEIF2AK4
SCHEMBL30424094 0.96 AOC3 (0.33) HCRTR1HCRTR2KCNH2LTC4SEIF2AK4
SCHEMBL30423990 0.92 CYP11B2 (0.35) HCRTR1HCRTR2KCNH2LTC4SEIF2AK4
SCHEMBL30423539 0.82 KMT2A (0.41) HCRTR1HCRTR2AOC3ALDH1A1
SCHEMBL24253712 0.82 KMT2A (0.41) HCRTR1HCRTR2AOC3ALDH1A1
SCHEMBL24253933 0.81 HCRTR1 (0.32) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL30423566 0.81 HCRTR1 (0.32) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL24253726 0.81 DPP4 (0.36) HCRTR1HCRTR2KCNH2LTC4SAOC3
SCHEMBL30423561 0.81 DPP4 (0.36) HCRTR1HCRTR2KCNH2LTC4SAOC3

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