SCHEMBL30423907

SCHEMBL30423907

O=C1CCCC2(CCN(c3ncnc(N4CCCC4)c3F)CC2)N1c1ccc(Cl)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1S1 Q96B36 5/20 0.36
CYP11B2 P19099 1/20 0.35
RAD51 Q06609 1/20 0.33
TP53 P04637 5/20 0.33
MAPT P10636 4/20 0.33
CNR1 P21554 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
PDE4B Q07343 1/20 0.31
AKT1 P31749 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KCNH2 Q12809 1/20 0.31
LTC4S Q16873 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
SCHEMBL24253830 1.00 AKT1S1 (0.36) AKT1S1CYP11B2RAD51TP53MAPT
SCHEMBL24253532 0.89 CYP11B2 (0.32) AKT1S1CYP11B2PDE4BAKT1
SCHEMBL30423549 0.89 CYP11B2 (0.32) AKT1S1CYP11B2PDE4BAKT1
SCHEMBL30423561 0.88 DPP4 (0.36) AKT1S1CYP11B2RAD51CNR1ALDH1A1
SCHEMBL24253726 0.88 DPP4 (0.36) AKT1S1CYP11B2RAD51CNR1ALDH1A1
SCHEMBL24253921 0.83 RAD51 (0.31) RAD51
SCHEMBL30424173 0.83 RAD51 (0.31) RAD51
SCHEMBL24253536 0.82 DPP4 (0.36) CYP11B2RAD51AKT1HCRTR1HCRTR2
SCHEMBL30494533 0.82 DPP4 (0.36) CYP11B2RAD51AKT1HCRTR1HCRTR2
SCHEMBL24253919 0.81 RAD51 (0.31) RAD51

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