SCHEMBL14138948

SCHEMBL14138948

CCO[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)N(C)C)cc2)N(C(=O)Nc2ccc(C)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.52
▸ AVPR2 P30518 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CCR1 P32246 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3832169 0.91 F10 (0.62) F10MAPTCCR1POLB
SCHEMBL8445094 0.89 F10 (0.45) F10MAPTPKMTSHRMAPK1
SCHEMBL14039482 0.89 F10 (0.47) F10AVPR2POLB
SCHEMBL3828731 0.81 F10 (0.56) F10POLB
SCHEMBL3828596 0.80 F10 (0.55) F10CCR1POLBTSHR
SCHEMBL3830301 0.76 F10 (0.63) F10RAB9AMAPTALDH1A1POLB
SCHEMBL3835351 0.75 F10 (0.58) F10MAPTCCR1POLBTSHR
SCHEMBL8467270 0.73 SMN1; SMN2 (0.46) F10RAB9APKMTSHRMAPK1
SCHEMBL8448048 0.73 F10 (0.53) F10POLB
SCHEMBL4101126 0.73 F10 (0.61) F10RAB9AMAPTCCR1POLB

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-7407972-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. (US) 2008-08-05 — — US disclosed
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