SCHEMBL9272363

SCHEMBL9272363

O=C(c1ccc2ncccc2c1)N1CCN(C(=O)N2Cc3ccccc3Oc3ccc(Cl)cc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ PTGER1 P34995 6/20 0.45
▸ PTGER2 P43116 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 2/20 0.41
▸ CCR3 P51677 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL9269930 0.98 LMNA (0.46) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL9272643 0.85 PTGER1 (0.57) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL9053229 0.83 PKM (0.53) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL9269848 0.79 AVPR1A (0.60) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL9273488 0.78 MAPT (0.47) MAPTMEN1KMT2AALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL9272897 0.77 MAPT (0.47) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL9275413 0.77 ALDH1A1 (0.56) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL9273057 0.76 MEN1 (0.57) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL9275801 0.76 MEN1 (0.59) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL9275447 0.75 MAPT (0.59) MAPTMEN1KMT2AALDH1A1CYP1A2

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 1 patent. 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
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