SCHEMBL8605019

SCHEMBL8605019

CC(=O)CN(c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.49
MTNR1B P49286 6/20 0.49
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PTPN7 P35236 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
SCHEMBL374605 0.84 MTNR1A (0.53) MTNR1AMTNR1BSMN1; SMN2ALDH1A1MEN1
SCHEMBL3105534 0.82 MTNR1A (0.52) MTNR1AMTNR1BSMN1; SMN2ALDH1A1MEN1
SCHEMBL17933246 0.78 NR3C2 (0.47) MTNR1AMTNR1BCYP1A2TP53
SCHEMBL28758819 0.77 UTS2R (0.46) KDM4ESMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL7102909 0.74 PTPN7 (0.42) MTNR1AMTNR1BKDM4ESMN1; SMN2HPGD
SCHEMBL11514183 0.73 SIGMAR1 (0.47) MTNR1AMTNR1BKDM4EALDH1A1KMT2A
SCHEMBL8852613 0.73 INSR (0.49) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7012336 0.72 BCHE (0.51) MTNR1AMTNR1BSMN1; SMN2ALDH1A1MEN1
SCHEMBL1176872 0.72 ESR1 (0.49) MTNR1AMTNR1BKDM4ESMN1; SMN2HPGD
SCHEMBL27277472 0.72 CRHBP (0.47) MTNR1AMTNR1BKDM4ESMN1; SMN2HPGD

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-5753290-A VULCANIZED RUBBER LATEX GLOBE MANUFACTURING CO. (US) 1998-05-19 US disclosed
US-4221703-A COPOLYESTERETHER, AMIDE-CONTAINING PHENOLIC ANTIOXIDANT E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-09-09 US disclosed
US-4094857-A Copolymerizable phenolic antioxidant E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-06-13 US disclosed
US-3957513-A Method of free radical photography utilizing a short light flash for exposure ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1976-05-18 US disclosed