SCHEMBL17082102

SCHEMBL17082102

Cc1cccc(N2CCN(C(=O)N3CCC[C@@]4(CCN([C@H]5CC[C@H](O)CC5)C4=O)C3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
ADAM10 O14672 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
GRM5 P41594 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
GFER P55789 2/20 0.38
RAB9A P51151 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
RECQL P46063 1/20 0.38
NOTUM Q6P988 1/20 0.38
GAA P10253 2/20 0.36

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
SCHEMBL549155 1.00 FFAR4 (0.42) FFAR4ADAM10MMP2MMP9GRM5
SCHEMBL549154 1.00 FFAR4 (0.42) FFAR4ADAM10MMP2MMP9GRM5
SCHEMBL549478 0.90 KMT2A (0.49) FFAR4KMT2AMEN1ALDH1A1MAPT
SCHEMBL17082084 0.90 KMT2A (0.49) FFAR4KMT2AMEN1ALDH1A1MAPT
SCHEMBL549479 0.90 KMT2A (0.49) FFAR4KMT2AMEN1ALDH1A1MAPT
SCHEMBL550557 0.90 AKR1C3 (0.47) MMP2CA12CA1CA9LMNA
SCHEMBL550556 0.90 AKR1C3 (0.47) MMP2CA12CA1CA9LMNA
SCHEMBL17082051 0.90 AKR1C3 (0.47) MMP2CA12CA1CA9LMNA
SCHEMBL550354 0.88 AKR1C3 (0.46) ADAM10MMP2LMNAALDH1A1HPGD
SCHEMBL550355 0.88 AKR1C3 (0.46) ADAM10MMP2LMNAALDH1A1HPGD

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-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed