SCHEMBL7412802

SCHEMBL7412802

CCCCc1cc2cccc(C(=O)OC)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.48
MTNR1B P49286 2/20 0.48
RIPK1 Q13546 1/20 0.46
CNR2 P34972 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PARP1 P09874 1/20 0.38
TSHR P16473 3/20 0.37

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
SCHEMBL7416444 0.95 MTNR1A (0.46) MTNR1AMTNR1BRIPK1CNR2LMNA
SCHEMBL7416024 0.92 MTNR1A (0.50) MTNR1AMTNR1BRIPK1CNR2SMN1; SMN2
SCHEMBL19584775 0.90 MTNR1A (0.48) MTNR1AMTNR1BRIPK1LMNAALDH1A1
SCHEMBL7414885 0.86 MTNR1A (0.46) MTNR1AMTNR1BRIPK1LMNAALDH1A1
SCHEMBL27285942 0.85 KDM5A (0.49) MTNR1AMTNR1BCNR2PARP1
SCHEMBL7012753 0.80 TSHR (0.49) MTNR1AMTNR1BCYP1A2SMN1; SMN2LMNA
SCHEMBL10990305 0.80 KDM5A (0.47) PARP1
SCHEMBL10981682 0.80 KDM5A (0.47) PARP1
SCHEMBL10982575 0.80 KDM5A (0.47) PARP1
SCHEMBL19585485 0.78 PSMD10 (0.45) MTNR1AMTNR1BSMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1039714-C Substituted indole, azaindole and tetrahydro-1H-pyrrol pyrrolo [2,3-c] pyridin-7-one derivatives SYTEX U S A INC (US) 1998-09-09 CN disclosed
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 US disclosed