SCHEMBL11643294

SCHEMBL11643294

CCCCc1cccc(Oc2ccc(NC(=O)CN)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.59
MTNR1A P48039 5/20 0.59
LTA4H P09960 2/20 0.51
POLB P06746 1/20 0.50
MDH1 P40925 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
PFKFB2 O60825 1/20 0.47
PFKFB1 P16118 1/20 0.47
PFKFB3 Q16875 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.46

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
SCHEMBL11643740 0.92 MTNR1B (0.54) MTNR1BMTNR1APOLBMDH1ALDH1A1
SCHEMBL11642100 0.88 MDH1 (0.58) MTNR1BMTNR1APOLBMDH1ALDH1A1
SCHEMBL11640331 0.87 POLB (0.65) MTNR1BMTNR1ALTA4HPOLBMDH1
SCHEMBL11643300 0.84 LTA4H (0.54) MTNR1BMTNR1ALTA4H
SCHEMBL11644190 0.80 MTNR1B (0.78) MTNR1BMTNR1AHPGD
SCHEMBL11641172 0.80 LTA4H (0.67) MTNR1BMTNR1ALTA4HPOLBALDH1A1
SCHEMBL11645169 0.80 MTNR1A (0.53) MTNR1BMTNR1ALTA4HPOLBMDH1
SCHEMBL688080 0.78 PLK1 (0.53) MTNR1BMTNR1A
SCHEMBL11644529 0.78 POLB (0.49) LTA4HPOLBMDH1ALDH1A1HPGD
SCHEMBL11644373 0.78 MTNR1B (0.53) MTNR1BPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4088780-A ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4032655-A PHENYLGUANIDINES USEFUL AS ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-28 US disclosed
US-4024176-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-3993682-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed