SCHEMBL7828495

SCHEMBL7828495

Cc1ccc2[nH]c3c(c2c1)[C@@H]1CCCC[C@H]1NC3

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
SIRT1 Q96EB6 3/20 0.40
RECQL P46063 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
RB1 P06400 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 2/20 0.36
CASP6 P55212 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTGES O14684 1/20 0.35
ADORA1 P30542 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
SCHEMBL7828493 1.00 MCHR1 (0.40) MCHR1SIRT1RECQLSIRT2RB1
SCHEMBL7816458 1.00 MCHR1 (0.40) MCHR1SIRT1RECQLSIRT2RB1
SCHEMBL7816786 0.68 DYRK1A (0.41) MCHR1L3MBTL1KDM4E
SCHEMBL7822706 0.68 DYRK1A (0.41) MCHR1L3MBTL1KDM4E
SCHEMBL7816732 0.67 OPRM1 (0.39) SIRT1RECQLSIRT2RB1GAA
SCHEMBL8408588 0.67 OPRM1 (0.39) SIRT1RECQLSIRT2RB1GAA
SCHEMBL7820110 0.66 HTR2B (0.56) SIRT1LMNAMAPT
SCHEMBL7820113 0.66 HTR2B (0.56) SIRT1LMNAMAPT
SCHEMBL14716449 0.66 MCHR1 (0.46) MCHR1SIRT1RB1L3MBTL1LMNA
SCHEMBL2814660 0.65 SIGMAR1 (0.60) MCHR1SIRT1RECQLSIRT2RB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749313-A4 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS LILLY CO ELI (US) 2001-10-24 EP disclosed
US-5663178-A 5-HT2 RECEPTOR ANTABONISTS ELI LILLY AND COMPANY (US) 1997-09-02 US disclosed
US-5643916-A 5-HT(2B) RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
US-5629317-A SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1997-05-13 US disclosed
EP-0749313-A1 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
WO-1995024200-A1 METHOD FOR TREATING 5HT2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1995-09-14 WO disclosed