SCHEMBL7434706

SCHEMBL7434706

CC(I)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.44
▸ ACP3 P15309 1/20 0.43
▸ AOC3 Q16853 1/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ TRPM8 Q7Z2W7 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
SCHEMBL22288271 0.83 HDAC4 (0.37) ADRB1ALDH1A1HPGD
SCHEMBL29428797 0.81 PGR (0.47) PNMTACP3AOC3OPRM1OPRD1
SCHEMBL2601111 0.81 PNMT (0.47) PNMTACP3AOC3OPRM1OPRD1
SCHEMBL254476 0.81 PGR (0.47) PNMTACP3AOC3OPRM1OPRD1
SCHEMBL8094299 0.79 PNMT (0.45) PNMTACP3AOC3OPRM1OPRD1
Ammonia Solution, Strong SCHEMBL16197665 0.79 PGR (0.46) PNMTACP3AOC3OPRM1OPRD1
SCHEMBL30549338 0.79 PNMT (0.45) PNMTACP3AOC3OPRM1OPRD1
SCHEMBL1410478 0.77 ACP3 (0.43) PNMTACP3AOC3OPRM1OPRD1
SCHEMBL3483533 0.77 PNMT (0.44) PNMTACP3AOC3OPRM1OPRD1
SCHEMBL626360 0.77 PNMT (0.44) PNMTACP3AOC3OPRM1OPRD1

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-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 — — EP disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 — — EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 — — EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 — — WO disclosed
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