SCHEMBL7417773

SCHEMBL7417773

CCCCc1cc2cccc(OC)c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
ITK Q08881 2/20 0.44
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
FLT3 P36888 1/20 0.40
NR3C1 P04150 3/20 0.40
PGR P06401 3/20 0.40
NR3C2 P08235 3/20 0.40
IDO1 P14902 1/20 0.40
APLNR P35414 1/20 0.40
GPR84 Q9NQS5 2/20 0.39
PARP1 P09874 1/20 0.39
SLC2A1 P11166 1/20 0.39
UTS2R Q9UKP6 1/20 0.38

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
SCHEMBL5350689 0.84 MTNR1A (0.60) MTNR1AMTNR1BITKALOX5PTGS2
SCHEMBL5359029 0.84 MTNR1A (0.60) MTNR1AMTNR1BITKALOX5PTGS2
SCHEMBL7808561 0.83 MTNR1A (0.61) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL19921264 0.80 MTNR1A (0.60) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL7412802 0.76 MTNR1A (0.48) MTNR1AMTNR1BPARP1
SCHEMBL9540950 0.75 PARP1 (0.61) MTNR1AMTNR1BAPLNRGPR84PARP1
SCHEMBL11199718 0.75 MTNR1A (0.62) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL27285942 0.74 KDM5A (0.49) MTNR1AMTNR1BPARP1
SCHEMBL6992510 0.72 MTNR1A (0.50) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL476670 0.72 ITK (0.48) MTNR1AMTNR1BITKHRH4FLT3

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
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