SCHEMBL1019928

SCHEMBL1019928

Cc1cc(N2CCOCC2)cnc1N1CCN(c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCCC4)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
MAPT P10636 8/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MTOR P42345 5/20 0.40
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
CHRNA7 P36544 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
USP2 O75604 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
SCHEMBL1646777 0.83 MAPT (0.62) DGAT1MAPTALDH1A1HTTLMNA
SCHEMBL943584 0.82 PANK3 (0.41) DGAT1MAPTALDH1A1HTTLMNA
SCHEMBL943790 0.81 THRB (0.44) MAPTALDH1A1HTTLMNAGAA
SCHEMBL944196 0.81 CNR1 (0.40) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL942282 0.81 USP2 (0.41) MAPTALDH1A1POLBGAAHSD17B10
SCHEMBL943643 0.81 WNT3A (0.40) DGAT1MAPTHTTLMNASMN1; SMN2
SCHEMBL944509 0.80 MAPT (0.39) MAPTALDH1A1HTTLMNAGAA
SCHEMBL942621 0.80 MAPT (0.44) MAPTALDH1A1HTTLMNAGAA
SCHEMBL944261 0.80 SMN1; SMN2 (0.44) MAPTALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL942180 0.80 CNR1 (0.41) MAPTALDH1A1POLBGAASMN1; SMN2

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-2173749-B1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LTD (GB) 2011-01-12 EP claimed