SCHEMBL11670240

SCHEMBL11670240

CN(CCCCOC(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 16/20 0.48
▸ MTNR1B P49286 16/20 0.48
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39

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
SCHEMBL11670959 0.96 MTNR1A (0.46) MTNR1AMTNR1BATMTDP1L3MBTL1
SCHEMBL11211219 0.90 MTNR1A (0.45) MTNR1AMTNR1BATMTDP1L3MBTL1
SCHEMBL11672283 0.84 MTNR1A (0.42) MTNR1AMTNR1BATMTDP1L3MBTL1
SCHEMBL11670563 0.83 MAOB (0.41) MTNR1AMTNR1BATMTDP1L3MBTL1
SCHEMBL11670832 0.82 CNR2 (0.44) MTNR1AMTNR1BTDP1L3MBTL1
SCHEMBL9804650 0.82 RAD52 (0.51) MTNR1AMTNR1BTDP1PPARGCHRM2
SCHEMBL7375351 0.82 KDM4E (0.54) CHRM2CHRM4CHRM1CHRM3
SCHEMBL11671287 0.82 ALDH1A1 (0.43) MTNR1AMTNR1BL3MBTL1CHRM2
SCHEMBL11672203 0.82 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL11671961 0.82 LSS (0.43) MTNR1AMTNR1BCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
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