SCHEMBL9277277

SCHEMBL9277277

O=C(N1CCN(Cc2ccco2)CC1)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 7/20 0.60
▸ PTGER2 P43116 4/20 0.56
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ SRPK1 Q96SB4 1/20 0.45
▸ AVPR1A P37288 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL9273093 0.88 AVPR1A (0.57) PTGER1PTGER2MAPTALDH1A1MEN1
SCHEMBL9275447 0.84 MAPT (0.59) PTGER1PTGER2MAPTALDH1A1MEN1
SCHEMBL9270524 0.84 KMT2A (0.52) PTGER1PTGER2MAPTALDH1A1MEN1
SCHEMBL9269394 0.84 PTGER1 (0.61) PTGER1PTGER2MAPTALDH1A1MEN1
SCHEMBL9275413 0.84 ALDH1A1 (0.56) PTGER1PTGER2MAPTALDH1A1MEN1
SCHEMBL9269912 0.83 MEN1 (0.51) PTGER1PTGER2MAPTALDH1A1MEN1
SCHEMBL9272921 0.83 PTGER1 (0.57) PTGER1PTGER2MAPTALDH1A1MEN1
SCHEMBL9272291 0.83 MEN1 (0.48) PTGER1MAPTALDH1A1MEN1KMT2A
SCHEMBL9278010 0.82 MEN1 (0.53) PTGER1PTGER2MAPTALDH1A1MEN1
SCHEMBL9269901 0.82 MEN1 (0.52) PTGER1PTGER2MAPTALDH1A1MEN1

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
US-5461047-A Analgesics and treats prostaglandin-E2 mediated diseases in animals G. D. SEARLE & CO. (US) 1995-10-24 — — US disclosed
US-5354747-A Analgesics G. D. SEARLE & CO. (US) 1994-10-11 — — US disclosed
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