SCHEMBL8661303

SCHEMBL8661303

C[C@@H](c1cncnc1)N1CCC(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 6/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ MC4R P32245 1/20 0.33
▸ TRPC5 Q9UL62 1/20 0.33
▸ CHRM2 P08172 3/20 0.33
▸ CHRM1 P11229 3/20 0.33
▸ HSD11B1 P28845 6/20 0.32
▸ CYP19A1 P11511 1/20 0.32

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
SCHEMBL8658684 1.00 OGA (0.38) OGACYP2D6MC4RTRPC5CHRM2
SCHEMBL8863358 0.80 CYP11B1 (0.46) OGACYP2D6MC4RCYP19A1
SCHEMBL8657944 0.78 LMNA (0.34) OGAHSD11B1
SCHEMBL8659393 0.74 CHRM2 (0.31) OGACHRM2
SCHEMBL19613500 0.74 CYP2D6 (0.70) CYP2D6MC4RTRPC5CHRM2CHRM1
SCHEMBL8099850 0.74 CYP2D6 (0.70) CYP2D6MC4RTRPC5CHRM2CHRM1
SCHEMBL1586528 0.74 CYP2D6 (0.70) CYP2D6MC4RTRPC5CHRM2CHRM1
SCHEMBL4601165 0.74 CYP2D6 (0.70) CYP2D6MC4RTRPC5CHRM2CHRM1
SCHEMBL13283877 0.74 HSD11B1 (0.52) CYP2D6MC4RCHRM2CHRM1HSD11B1
SCHEMBL12685149 0.73 HSD11B1 (0.54) CYP2D6MC4RCHRM2CHRM1HSD11B1

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
US-5756508-A Muscarine antagonists MERCK & CO., INC. (US) 1998-05-26 — — US disclosed
WO-1997016192-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1997-05-09 — — WO disclosed
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