SCHEMBL27288289

SCHEMBL27288289

O=C(N1CCC(Oc2ccc(F)cc2Cl)CC1)N1CCC(c2ccn[nH]2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.42
▸ MGLL Q99685 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ OXTR P30559 2/20 0.40
▸ AVPR1A P37288 1/20 0.40
▸ UTS2R Q9UKP6 3/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ SCD O00767 1/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ PROKR1 Q8TCW9 1/20 0.37
▸ GPR6 P46095 1/20 0.37
▸ VNN1 O95497 1/20 0.37

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
SCHEMBL30699913 0.89 MGLL (0.41) HSD11B1MGLLGAACCNT1CDK9
SCHEMBL30700211 0.76 MGLL (0.40) MGLLGAACCNT1CDK9OXTR
SCHEMBL24095446 0.76 MGLL (0.61) MGLL
SCHEMBL25785175 0.76 MGLL (0.61) MGLL
SCHEMBL24095488 0.76 MGLL (0.61) MGLL
SCHEMBL30699875 0.76 MGLL (0.42) MGLLGAACCNT1CDK9OXTR
SCHEMBL30700691 0.76 MGLL (0.42) MGLLGAACCNT1CDK9OXTR
SCHEMBL30700304 0.75 MGLL (0.44) HSD11B1MGLLVNN1
SCHEMBL27288284 0.75 MGLL (0.44) HSD11B1MGLLVNN1
SCHEMBL23365170 0.74 HRH1 (0.48) HSD11B1OXTRAVPR1AUTS2RSCD

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
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO disclosed
Send feedback