SCHEMBL6641937

SCHEMBL6641937

COc1cccc(OC)c1NC(=O)c1cc(Br)c(Oc2cc3c(cc2C)C(C)(C)CCC3(C)C)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 4/20 0.49
▸ FPR1 P21462 1/20 0.49
▸ GPR183 P32249 1/20 0.49
▸ GPR119 Q8TDV5 1/20 0.49
▸ RXRA P19793 4/20 0.42
▸ S1PR4 O95977 3/20 0.39
▸ S1PR2 O95136 2/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ CACNA1F O60840 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HRH2 P25021 1/20 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
SCHEMBL6644106 0.86 RXRA (0.42) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL6645029 0.81 GNRHR (0.49) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL6642215 0.80 FPR1 (0.54) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL6643028 0.80 GNRHR (0.47) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL6668919 0.80 GNRHR (0.52) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL6672225 0.76 GNRHR (0.43) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL6646634 0.75 GNRHR (0.37) GNRHRFPR1GPR183GPR119CYP2C9
SCHEMBL6641710 0.75 GNRHR (0.47) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL6644749 0.75 GNRHR (0.47) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL6665757 0.74 GNRHR (0.51) GNRHRFPR1GPR183GPR119S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401427-A4 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM AGOURON PHARMA (US) 2004-12-01 — — EP disclosed
EP-1401427-A2 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM Agouron Pharmaceuticals, Inc. (US) 2004-03-31 — — EP disclosed
WO-2002098363-A2 NON-PEPTIDE GnRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM AGOURON PHARMACEUTICALS, INC. (US) 2002-12-12 — — WO disclosed
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