SCHEMBL27166102

SCHEMBL27166102

N#CC(=C1CCN(C(=O)N2CCn3ncnc3C2)CC1)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.37
PKM P14618 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1C3 P42330 1/20 0.34
ELANE P08246 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34
DPP4 P27487 1/20 0.34
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL30056639 1.00 GRM5 (0.37) GRM5PKMALDH1A1KDM4EPOLB
SCHEMBL27166107 0.89 PROKR1 (0.41) GRM5ALDH1A1MAPTSMN1; SMN2AKR1C3
SCHEMBL27166169 0.83 DPP4 (0.39) GRM5ELANEDPP4NOTUM
SCHEMBL30828304 0.83 DPP4 (0.37) GRM5AKR1C3ELANECYP1A2CYP2D6
SCHEMBL30055057 0.83 NOTUM (0.33) GRM5AKR1C3ELANEDPP4NOTUM
SCHEMBL27166154 0.83 NOTUM (0.33) GRM5AKR1C3ELANEDPP4NOTUM
SCHEMBL27166088 0.81 ELANE (0.39) AKR1C3ELANECYP1A2DPP4
SCHEMBL27166196 0.81 NOTUM (0.36) ALDH1A1MAPTSMN1; SMN2ELANEDPP4
SCHEMBL30057055 0.81 PKM (0.40) GRM5PKMALDH1A1AKR1C3CYP1A2
SCHEMBL27166123 0.81 PKM (0.40) GRM5PKMALDH1A1AKR1C3CYP1A2

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
EP-4334289-A1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF Organon R&D Finland Ltd (FI) 2024-03-13 EP disclosed