SCHEMBL19151069

SCHEMBL19151069

CCC(=O)NCc1cnccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOST Q9BQB4 1/20 0.52
▸ NAMPT P43490 3/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ PIK3CA P42336 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ NOTUM Q6P988 2/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRL1 P41146 1/20 0.38

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
SCHEMBL14960629 0.83 SOST (0.54) SOSTNAMPTCYP2C9PIK3CAMAPK1
SCHEMBL19116551 0.83 SOST (0.49) SOSTNAMPTCYP2C9PIK3CASMN1; SMN2
SCHEMBL14960630 0.81 SOST (0.52) SOSTNAMPTCYP2C9PIK3CASMN1; SMN2
SCHEMBL19151037 0.80 LMNA (0.49) CYP2C9SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL25587537 0.79 SOST (0.51) SOSTNAMPTCYP2C9PIK3CAMAPK1
SCHEMBL12320561 0.77 HPGD (0.68) SOSTNAMPTCYP2C9PIK3CASMN1; SMN2
SCHEMBL30259908 0.76 ALDH1A1 (0.64) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL13170238 0.76 ALDH1A1 (0.64) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL16181507 0.76 NAMPT (0.49) SOSTNAMPTCYP2C9PIK3CARAB9A
SCHEMBL7848367 0.75 NAMPT (0.70) NAMPTCYP2C9NPC1RAB9A

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-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 — — EP disclosed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 — — WO disclosed
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