SCHEMBL30423985

SCHEMBL30423985

O=C1CCCC2(CCN(c3cc(Cl)ncn3)CC2)N1c1ccc(F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
KCNH2 Q12809 1/20 0.35
LTC4S Q16873 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
METTL3 Q86U44 2/20 0.33
DPP4 P27487 6/20 0.33
CYP11B2 P19099 1/20 0.32
RAD51 Q06609 1/20 0.32
DPP8 Q6V1X1 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
SCHEMBL24253866 1.00 HCRTR1 (0.35) HCRTR1HCRTR2KCNH2LTC4SHTR1A
SCHEMBL24253540 0.86 HCRTR1 (0.34) HCRTR1HCRTR2KCNH2LTC4SHTR1A
SCHEMBL30424148 0.84 ELOVL1 (0.41) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL24253644 0.84 ELOVL1 (0.41) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL24253552 0.84 MAPT (0.40) HCRTR1HCRTR2KCNH2LTC4SHTR1A
SCHEMBL30423245 0.84 MAPT (0.40) HCRTR1HCRTR2KCNH2LTC4SHTR1A
SCHEMBL24253832 0.84 HCRTR2 (0.33) HCRTR1HCRTR2KCNH2LTC4SHTR1A
SCHEMBL24253834 0.83 HCRTR1 (0.33) HCRTR1HCRTR2KCNH2LTC4SHTR1A
SCHEMBL24253536 0.82 DPP4 (0.36) HCRTR1HCRTR2KCNH2LTC4SMETTL3
SCHEMBL30494533 0.82 DPP4 (0.36) HCRTR1HCRTR2KCNH2LTC4SMETTL3

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 2 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 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