SCHEMBL9277049

SCHEMBL9277049

CCOC(=O)C1CN(C(=O)N2Cc3ccccc3Oc3ccc(Cl)cc32)CCN1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.49
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PTGER2 P43116 4/20 0.44
▸ POLB P06746 1/20 0.41
▸ PGR P06401 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ THRB P10828 2/20 0.38

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
SCHEMBL9423796 0.83 KMT2A (0.41) PTGER1MAPTALDH1A1MEN1KMT2A
SCHEMBL9272255 0.81 PTGER1 (0.54) PTGER1MAPTALDH1A1MEN1KMT2A
SCHEMBL9273057 0.78 MEN1 (0.57) PTGER1MAPTALDH1A1MEN1KMT2A
SCHEMBL9275447 0.78 MAPT (0.59) PTGER1MAPTALDH1A1MEN1KMT2A
SCHEMBL9272921 0.76 PTGER1 (0.57) PTGER1MAPTALDH1A1MEN1KMT2A
SCHEMBL9273093 0.75 AVPR1A (0.57) PTGER1MAPTALDH1A1MEN1KMT2A
SCHEMBL9049054 0.75 PTGER1 (0.55) PTGER1MAPTALDH1A1MEN1KMT2A
SCHEMBL9277326 0.74 MAPT (0.59) PTGER1MAPTALDH1A1MEN1KMT2A
SCHEMBL9270277 0.74 KMT2A (0.59) PTGER1MAPTALDH1A1MEN1KMT2A
SCHEMBL9275901 0.73 MEN1 (0.56) PTGER1MAPTALDH1A1MEN1KMT2A

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
Send feedback