SCHEMBL9529112

SCHEMBL9529112

O=C(O)CCc1c[nH]c2ccc(OCc3ccc4ccccc4n3)cc12

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.62
AKR1B1 P15121 1/20 0.62
CYSLTR1 Q9Y271 12/20 0.57
CYSLTR2 Q9NS75 10/20 0.57
GPBAR1 Q8TDU6 3/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LTA4H P09960 1/20 0.50
PLA2G2A P14555 1/20 0.50
TRPM8 Q7Z2W7 2/20 0.49
HTR1D P28221 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 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
SCHEMBL9530636 0.83 GPBAR1 (0.62) CYSLTR1GPBAR1
SCHEMBL852376 0.82 TRPM8 (0.72) MEN1KMT2ALTA4HPLA2G2ATRPM8
SCHEMBL9530835 0.81 TRPM8 (0.61) CYSLTR1CYSLTR2MEN1KMT2ALTA4H
SCHEMBL9209634 0.81 CYSLTR1 (0.59) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL8539274 0.80 GPBAR1 (0.63) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL9656045 0.76 CYSLTR1 (0.85) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL8649544 0.76 FFAR1 (0.97) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1
SCHEMBL9209653 0.76 GPBAR1 (0.53) CYSLTR1CYSLTR2GPBAR1MEN1KMT2A
SCHEMBL8690097 0.76 CYP2C19 (0.61) KMT2ATRPM8HTR1DKDM4E
SCHEMBL9138220 0.74 AKR1C2 (0.57) FFAR1AKR1B1CYSLTR1CYSLTR2GPBAR1

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
EP-0544821-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS. PFIZER (US) 1993-06-09 EP disclosed
WO-1992006088-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-04-16 WO disclosed