SCHEMBL11117500

SCHEMBL11117500

COc1cccc(NCCCCl)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
ICMT O60725 3/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
PPARG P37231 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GRM4 Q14833 1/20 0.46
EGFR P00533 1/20 0.46
ERBB3 P21860 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.45

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
SCHEMBL10989612 0.91 MTNR1A (0.60) MTNR1AMTNR1BICMTMEN1KMT2A
SCHEMBL11114174 0.89 MTNR1A (0.66) MTNR1AMTNR1BICMTMEN1KMT2A
SCHEMBL12520413 0.84 MTNR1B (0.60) MTNR1AMTNR1BICMTMEN1KMT2A
SCHEMBL11115757 0.84 MAPT (0.61) MTNR1AMTNR1BICMTMEN1KMT2A
SCHEMBL11112342 0.84 SMN1; SMN2 (0.47) MTNR1AMTNR1BMAPTNPSR1GRM4
SCHEMBL11168082 0.84 MAPT (0.44) MTNR1AMTNR1BKMT2AMAPTPOLB
SCHEMBL11116182 0.83 ALDH1A1 (0.57) MTNR1AMTNR1BMAPTMAPK1POLB
SCHEMBL11114326 0.83 EGFR (0.57) MTNR1AMTNR1BICMTMEN1KMT2A
SCHEMBL10126711 0.83 MTNR1A (0.63) MTNR1AMTNR1BICMTMEN1KMT2A
SCHEMBL8557540 0.83 MTNR1A (0.63) MTNR1AMTNR1BICMTMEN1KMT2A

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-0058868-B1 DERIVATIVES OF TETRAHYDROPYRIMIDINON, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING THOSE DERIVATIVES AS ACTIVE PRODUCTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-11 EP disclosed
EP-0058868-A1 Derivatives of tetrahydropyrimidinon, process for their preparation and herbicides containing those derivatives as active products NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1982-09-01 EP disclosed