SCHEMBL9238006

SCHEMBL9238006

O=C(CC(c1ccccc1)c1ccccc1)NCc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ TACR1 P25103 3/20 0.56
▸ HPGD P15428 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CHRNB2 P17787 1/20 0.52
▸ CHRNA4 P43681 1/20 0.52
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ GAA P10253 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MTNR1A P48039 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL8303719 0.84 KMT2A (0.55) MEN1MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL20465941 0.81 KMT2A (0.52) MEN1MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL17513637 0.81 KMT2A (0.52) MEN1MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL20453813 0.81 KMT2A (0.52) MEN1MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL10520185 0.80 HRH4 (0.54) MEN1MAPTKMT2ALMNACHRNB2
SCHEMBL15571714 0.79 HPGD (0.72) MEN1MAPTKMT2ATACR1HPGD
SCHEMBL404391 0.79 MEN1 (0.69) MEN1MAPTKMT2AHPGDLMNA
SCHEMBL1284855 0.78 KMT2A (0.59) MEN1MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL27548891 0.78 KMT2A (0.59) MEN1MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL13073769 0.78 KMT2A (0.59) MEN1MAPTKMT2AHPGDSMN1; SMN2

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-1995011880-A1 SUBSTITUTED AMIDES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-05-04 — — WO disclosed
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