SCHEMBL8884184

SCHEMBL8884184

O=C(CNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21)NCCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.57
▸ PTGER2 P43116 4/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ THPO P40225 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TP53 P04637 1/20 0.42
▸ CNR1 P21554 1/20 0.42

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
Hydrochloric Acid SCHEMBL8885793 0.99 PTGER1 (0.56) PTGER1PTGER2KMT2AMAPTMEN1
SCHEMBL9157050 0.86 MAPT (0.61) PTGER1PTGER2KMT2AMAPTMEN1
SCHEMBL8887104 0.81 PTGER1 (0.69) PTGER1PTGER2KMT2AMAPTMEN1
SCHEMBL8886654 0.80 PTGER1 (0.65) PTGER1PTGER2KMT2AMAPTMEN1
SCHEMBL8886433 0.80 PTGER1 (0.69) PTGER1PTGER2KMT2AMAPTMEN1
SCHEMBL8887918 0.80 PTGER1 (0.65) PTGER1PTGER2KMT2AMAPTMEN1
SCHEMBL9187686 0.77 PTGER1 (0.65) PTGER1PTGER2KMT2AMAPTMEN1
SCHEMBL9172122 0.77 HPGD (0.52) PTGER1PTGER2KMT2AMAPTMEN1
SCHEMBL8887008 0.76 PTGER1 (0.72) PTGER1PTGER2KMT2AMAPTMEN1
SCHEMBL8885549 0.76 PTGER1 (0.72) PTGER1PTGER2KMT2AMAPTMEN1

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
US-5661146-A ANALGESICS G.D. SEARLE & CO. (US) 1997-08-26 — — US disclosed
US-5449675-A Analgesics G. D. SEARLE & CO. (US) 1995-09-12 — — US disclosed
US-5441950-A Analgesics, prostaglandin E2 antagonists G. D. SEARLE & CO. (US) 1995-08-15 — — US disclosed
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