SCHEMBL9527677

SCHEMBL9527677

N#CCNCCc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
HTR2A P28223 4/20 0.57
TSHR P16473 1/20 0.57
TRPM8 Q7Z2W7 1/20 0.57
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP14 P50281 1/20 0.55
GFER P55789 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GPR84 Q9NQS5 1/20 0.55
SLC6A4 P31645 1/20 0.54
HTR1A P08908 1/20 0.52
HTR6 P50406 1/20 0.52
SNCA P37840 3/20 0.52
MPO P05164 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL9529083 0.82 HTR2A (0.74) MTNR1AMTNR1BHTR2ATSHRTRPM8
SCHEMBL1120761 0.81 KDM4E (0.68) MTNR1AMTNR1BHTR2ATSHRTRPM8
SCHEMBL10491369 0.80 HTR2A (0.70) HTR2ATSHRHTR1AMEN1KMT2A
SCHEMBL9612263 0.80 HTR2A (0.67) MTNR1AMTNR1BHTR2ATSHRTRPM8
SCHEMBL15791145 0.79 HTR2A (0.69) MTNR1AMTNR1BHTR2ATSHRTRPM8
SCHEMBL446591 0.78 CSNK2A1 (0.67) MTNR1AMTNR1BHTR2ATRPM8MMP9
SCHEMBL25004737 0.78 MTNR1A (0.64) MTNR1AMTNR1BHTR2ATSHRTRPM8
SCHEMBL31292987 0.78 MTNR1A (0.64) MTNR1AMTNR1BHTR2ATSHRTRPM8
SCHEMBL11069253 0.77 SNCA (0.71) MTNR1AMTNR1BHTR2ATRPM8SLC6A4
SCHEMBL9527900 0.77 HTR2A (0.58) MTNR1AMTNR1BHTR2AHTR1AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287468-B1 17-AZA-20,21-DINOREBURNAMENINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-03-10 EP disclosed
US-4886802-A ANALGESICS ROUSSEL UCLAF (FR) 1989-12-12 US disclosed
EP-0287468-A2 17-Aza-20,21-dinoreburnamenine derivatives, process and intermediates for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1988-10-19 EP disclosed