SCHEMBL22353064

SCHEMBL22353064

C=C(N)NC(=C)NCCc1cccc2c1OCO2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.52
TGM2 P21980 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 1/20 0.38
EED O75530 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MT-CO2 P00403 1/20 0.36
FAAH O00519 1/20 0.35
MTNR1B P49286 3/20 0.32

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
SCHEMBL14868398 0.79 MTNR1A (0.49) MTNR1ATGM2KDM4CHTR2AHTR2C
SCHEMBL1011204 0.78 MTNR1A (0.82) MTNR1AKDM4CMTNR1B
SCHEMBL22353062 0.76 MTNR1A (0.38) MTNR1ATGM2KDM4CHTR2AHTR2C
SCHEMBL14868406 0.74 MTNR1A (0.47) MTNR1ATGM2KDM4CHTR2AHTR2C
SCHEMBL14868378 0.73 MTNR1A (0.49) MTNR1ATGM2KDM4CHTR2AHTR2C
SCHEMBL17186442 0.73 MTNR1A (0.54) MTNR1ATGM2KDM4CHTR2AHTR2C
SCHEMBL14868393 0.73 MTNR1A (0.51) MTNR1ATGM2KDM4CHTR2AHTR2C
SCHEMBL14868414 0.71 MTNR1A (0.49) MTNR1ATGM2KDM4CHTR2AHTR2C
SCHEMBL17186299 0.70 MTNR1A (0.51) MTNR1AHTR2AHTR2C
SCHEMBL11044001 0.70 EED (0.44) MTNR1AKDM4CHTR2AHTR2CEED

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-2800561-B1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMA US LLC (US) 2020-08-19 EP disclosed