SCHEMBL14885657

SCHEMBL14885657

COC(=O)CN1C(=O)C2(OCC(C)(C)CO2)c2cc(NCCN3CCOCC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 7/20 0.43
▸ ABHD6 Q9BV23 1/20 0.42
▸ HDAC2 Q92769 4/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ OPRL1 P41146 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK14 Q16539 1/20 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
SCHEMBL14876234 0.86 OPRL1 (0.40) ANPEPHDAC2HDAC1OPRL1ALDH1A1
SCHEMBL14876235 0.80 ANPEP (0.38) ANPEPHDAC2OPRL1ALDH1A1LMNA
SCHEMBL14875968 0.80 ANPEP (0.44) ANPEPHDAC2HDAC1ALDH1A1LMNA
SCHEMBL14885551 0.78 ANPEP (0.42) ANPEPHDAC2HDAC1ALDH1A1LMNA
SCHEMBL14876087 0.77 ANPEP (0.47) ANPEPHDAC2HDAC1OPRL1ALDH1A1
SCHEMBL14885690 0.76 ABHD6 (0.47) ABHD6HDAC2HDAC1GAAALDH1A1
SCHEMBL14876547 0.75 ANPEP (0.44) ANPEPHDAC1OPRL1ALDH1A1LMNA
SCHEMBL20509933 0.66 GAA (0.48) ABHD6GAAALDH1A1LMNA
SCHEMBL14885658 0.65 ALDH1A1 (0.50) ABHD6ALDH1A1LMNAMAPK14
SCHEMBL14885689 0.65 ABHD6 (0.47) ABHD6HDAC2HDAC1GAAALDH1A1

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
EP-2768822-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-12-06 — — EP disclosed
WO-2013057013-A2 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 — — WO disclosed
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