SCHEMBL7334672

SCHEMBL7334672

Cc1c(CNC(=O)c2cn3c4c(cccc24)CCC3)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.41
MTNR1B P49286 7/20 0.41
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MCL1 Q07820 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7326237 0.85 PDE4A (0.37) HPGDSMN1; SMN2
SCHEMBL7332932 0.78 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1HTTHTR2A
SCHEMBL3054218 0.74 HTT (0.49) MTNR1AMTNR1BALDH1A1HTT
SCHEMBL9789206 0.72 MCL1 (0.35) MTNR1AMTNR1BALDH1A1HTTHPGD
SCHEMBL3054263 0.71 HTT (0.48) MTNR1AMTNR1BALDH1A1HTTSMN1; SMN2
SCHEMBL8078291 0.70 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1HTTSMN1; SMN2
SCHEMBL3048958 0.70 HDAC6 (0.52) MTNR1AMTNR1BALDH1A1HTT
SCHEMBL13087200 0.69 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1HPGDHTR2A
SCHEMBL3057582 0.69 HTT (0.46) MTNR1AMTNR1BALDH1A1HTT
SCHEMBL3048558 0.68 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1HTTHPGD

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-5102901-A 5-hydroxytrypamine receptor antaonists DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-04-07 US disclosed
EP-0393766-A2 New 3-N substituted carbamoyl-indole derivatives DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-10-24 EP disclosed