SCHEMBL6557414

SCHEMBL6557414

COC(=O)NCCc1c(C)n[nH]c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
CBR1 P16152 1/20 0.36
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 2/20 0.34
P2RX7 Q99572 3/20 0.34
AR P10275 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6558343 0.82 NPC1 (0.41) GAANPC1RAB9ATP53HSD17B10
SCHEMBL6559436 0.80 MAPK1 (0.32) GAAHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL6558372 0.80 POLB (0.43) TP53HSD17B10ALDH1A1KMT2AMEN1
SCHEMBL6557418 0.79 HSD17B10 (0.36) GAAHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL6559547 0.77 MEN1 (0.34) GAAHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL6065016 0.70 KMT2A (0.33) RAB9AP2RX7KMT2AMEN1MAPT
SCHEMBL6065740 0.70 F2 (0.41) GAANPC1RAB9ATP53HSD17B10
SCHEMBL6065131 0.69 LMNA (0.40) GAARAB9AALDH1A1HPGDCYP2C19
SCHEMBL6557082 0.69 PRMT5 (0.40) HSD17B10KMT2AMEN1CYP1A2
SCHEMBL6066190 0.69 SMN1; SMN2 (0.35) NPC1RAB9AARKMT2AMAPT

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-1392704-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-03 EP disclosed
WO-2002090364-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed