SCHEMBL13626308

SCHEMBL13626308

COc1cccc2c1C(C)(NC(C)=O)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ACHE P22303 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL13626312 0.72 ALDH1A1 (0.41) MTNR1AMTNR1BLMNA
SCHEMBL5831381 0.69 HTR5A (0.41) LMNAKMT2AKDM4EMAPTCA1
SCHEMBL5831052 0.69 HTR5A (0.38) LMNAKMT2AKDM4EMAPTCA1
SCHEMBL14037744 0.66 HDAC9 (0.41) MTNR1AMTNR1BLMNAPOLBNPC1
SCHEMBL11165552 0.66 ADRA2A (0.48) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL5831674 0.66 DRD2 (0.39) MTNR1AMTNR1BLMNAKDM4EMAPT
SCHEMBL7772440 0.65 MTNR1A (0.47) MTNR1AMTNR1BMAPTCA1CA2
SCHEMBL19469485 0.65 PIN1 (0.51) MTNR1AMTNR1BKDM4EMAPTCA1
SCHEMBL19469557 0.65 PIN1 (0.51) MTNR1AMTNR1BKDM4EMAPTCA1
SCHEMBL19469648 0.65 PIN1 (0.51) MTNR1AMTNR1BKDM4EMAPTCA1

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
WO-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO disclosed