SCHEMBL17081998

SCHEMBL17081998

O=C(N1CCN(c2ccc(-c3ccccc3)cc2)CC1)N1CCC[C@@]2(CCN([C@H]3CC[C@H](O)CC3)C2=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 8/20 0.41
ALDH1A1 P00352 7/20 0.41
CYP2C9 P11712 6/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP1A2 P05177 5/20 0.41
CYP2C19 P33261 4/20 0.41
HPGD P15428 4/20 0.41
MAPK1 P28482 3/20 0.41
ALOX12 P18054 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CYP3A4 P08684 8/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
AKR1C3 P42330 4/20 0.40
ALOX15 P16050 2/20 0.40
SLC6A7 Q99884 2/20 0.39
POLB P06746 1/20 0.39
HIF1A Q16665 1/20 0.38
HRH3 Q9Y5N1 3/20 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
SCHEMBL549513 1.00 USP2 (0.41) USP2ALDH1A1CYP2C9HSD17B10CYP1A2
SCHEMBL549514 1.00 USP2 (0.41) USP2ALDH1A1CYP2C9HSD17B10CYP1A2
SCHEMBL550354 0.94 AKR1C3 (0.46) USP2ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL550355 0.94 AKR1C3 (0.46) USP2ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL549159 0.88 AKR1C3 (0.52) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL549158 0.88 AKR1C3 (0.52) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL17082145 0.88 AKR1C3 (0.52) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL550896 0.87 AKR1C3 (0.46) ALDH1A1CYP2C9CYP2C19HPGDMAPK1
SCHEMBL4570118 0.86 AKR1C3 (0.37) ALDH1A1HPGDSMN1; SMN2AKR1C3HRH3
SCHEMBL549394 0.86 CTSS (0.39) ALDH1A1HPGDSMN1; SMN2AKR1C3TP53

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