SCHEMBL11115757

SCHEMBL11115757

COc1cccc(NCCCNc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
ALDH1A1 P00352 1/20 0.61
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
ICMT O60725 6/20 0.56
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
NLRP3 Q96P20 1/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
USP2 O75604 1/20 0.51
PPARG P37231 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HIF1A Q16665 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL11114174 0.94 MTNR1A (0.66) MAPTALDH1A1MTNR1AMTNR1BICMT
SCHEMBL11112396 0.89 MAPT (0.61) MAPTALDH1A1MTNR1AMTNR1BICMT
SCHEMBL12520413 0.86 MTNR1B (0.60) MAPTALDH1A1MTNR1AMTNR1BICMT
SCHEMBL11116522 0.86 ALDH1A1 (0.61) MAPTALDH1A1MTNR1AMTNR1B
SCHEMBL11114326 0.85 EGFR (0.57) MAPTMTNR1AMTNR1BICMTNPC1
SCHEMBL3905881 0.85 RAB9A (0.59) MAPTMTNR1AMTNR1BICMTRAB9A
SCHEMBL11129973 0.85 ALDH1A1 (0.55) MAPTALDH1A1MTNR1AMTNR1BICMT
SCHEMBL30080226 0.85 RAB9A (0.59) MAPTMTNR1AMTNR1BICMTRAB9A
SCHEMBL10126711 0.84 MTNR1A (0.63) MAPTALDH1A1MTNR1AMTNR1BICMT
SCHEMBL4167334 0.84 MTNR1A (0.63) MAPTALDH1A1MTNR1AMTNR1BICMT

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
US-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 US disclosed