SCHEMBL9448768

SCHEMBL9448768

CCOC(=O)Cc1ccc2[nH]cc(CCNC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.54
▸ TRPV1 Q8NER1 2/20 0.48
▸ MTNR1A P48039 6/20 0.48
▸ MTNR1B P49286 3/20 0.48
▸ SPR P35270 2/20 0.48
▸ LTA4H P09960 1/20 0.46
▸ PLA2G2A P14555 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ FAAH O00519 1/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ NQO2 P16083 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ NOTUM Q6P988 2/20 0.46
▸ CYP1A1 P04798 1/20 0.46

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
SCHEMBL8786780 0.88 FAAH (0.52) TRPM8TRPV1MTNR1AMTNR1BSPR
SCHEMBL17871714 0.85 PKM (0.49) TRPM8MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL8806792 0.85 TRPV1 (0.53) TRPM8TRPV1MTNR1AMTNR1BSPR
SCHEMBL8807001 0.84 TRPV1 (0.53) TRPM8TRPV1MTNR1AMTNR1BSPR
SCHEMBL8113405 0.84 TRPV1 (0.53) TRPM8TRPV1MTNR1AMTNR1BSPR
SCHEMBL8787799 0.84 KDM4E (0.57) TRPM8MTNR1AMTNR1BSPRMEN1
SCHEMBL8806905 0.84 TRPM8 (0.53) TRPM8TRPV1MTNR1AMTNR1BSPR
SCHEMBL8328162 0.82 TRPV1 (0.51) TRPM8TRPV1MTNR1AMTNR1BSPR
SCHEMBL14961084 0.81 TRPM8 (0.63) TRPM8TRPV1MTNR1AMTNR1BLTA4H
SCHEMBL9484567 0.81 NTRK1 (0.41) KMT2ACYP1A2NQO2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229405-A Rheumatic diseases CIBA-GEIGY CORPORATION (US) 1993-07-20 — — US disclosed
US-5208248-A Hydroxytryptamine Receptor Agonists MERCK SHARPE & DOHME, LTD. (GB) 1993-05-04 — — US disclosed
US-5194440-A Treatment for migraine; selective agonist MERCK SHARP & DOHME LTD. (GB) 1993-03-16 — — US disclosed
US-5177091-A Rheumatic disorders CIBA-GEIGY CORPORATION (US) 1993-01-05 — — US disclosed
EP-0501568-A1 Substituted cyclic sulphamide derivatives MERCK SHARP & DOHME LTD. (GB) 1992-09-02 — — EP disclosed
EP-0494774-A1 Indazole-substituted fivemembered heteroaromatic compounds MERCK SHARP & DOHME LTD. (GB) 1992-07-15 — — EP disclosed
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