SCHEMBL11645404

SCHEMBL11645404

CCC(N)C(=O)Nc1cccc(Oc2cccc(OC)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.63
MTNR1A P48039 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 1/20 0.52
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL11642968 0.94 MTNR1B (0.56) MTNR1BMTNR1AALDH1A1TSHRHPGD
SCHEMBL11642407 0.90 MITF (0.57) ALDH1A1TSHRHPGDMAPTRAB9A
SCHEMBL11643510 0.87 LTA4H (0.54) MTNR1BALDH1A1MEN1MAPTKMT2A
SCHEMBL11666949 0.86 S1PR2 (0.53) MTNR1BALDH1A1MEN1KMT2A
SCHEMBL11764331 0.86 KMT2A (0.52) MTNR1BALDH1A1MEN1NPC1MAPT
SCHEMBL11644122 0.86 CDK8 (0.49) MTNR1BALDH1A1HPGDNPC1RAB9A
SCHEMBL11646842 0.86 MEN1 (0.52) MTNR1BALDH1A1MEN1MAPTKMT2A
SCHEMBL11644410 0.86 S1PR2 (0.53) MTNR1BALDH1A1SMN1; SMN2
SCHEMBL11642722 0.85 HPGD (0.56) MTNR1BMTNR1AHPGDNPC1RAB9A
SCHEMBL11644068 0.85 MTNR1B (0.47) MTNR1BMTNR1AALDH1A1NPC1RAB9A

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