SCHEMBL8994520

SCHEMBL8994520

CCOC(=O)C(=O)[C@@H]1CCCN1C(=O)CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CCR1 P32246 3/20 0.40
DPP4 P27487 1/20 0.40
KCNH2 Q12809 1/20 0.39
AGTR2 P50052 1/20 0.39
LTB4R2 Q9NPC1 3/20 0.38
MLYCD O95822 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACE P12821 3/20 0.37
BCL2A1 Q16548 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
FAP Q12884 1/20 0.37

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
SCHEMBL9178463 0.91 ACE (0.43) KDM4EALDH1A1SMN1; SMN2ACEACE2
SCHEMBL7281408 0.90 DPP4 (0.43) CCR1DPP4KCNH2AGTR2MLYCD
SCHEMBL8994599 0.84 KDM4E (0.39) KDM4EALDH1A1CCR1KCNH2AGTR2
SCHEMBL7272151 0.81 MLYCD (0.42) CCR1DPP4KCNH2AGTR2LTB4R2
SCHEMBL7306289 0.81 ACE (0.47) ALDH1A1SMN1; SMN2ACEACE2
SCHEMBL7290318 0.80 CPT2 (0.51) SMN1; SMN2ACEACE2
SCHEMBL9182343 0.80 CPT2 (0.51) SMN1; SMN2ACEACE2
SCHEMBL9185740 0.79 MEN1 (0.46) ACEACE2FAP
SCHEMBL7283547 0.79 MLYCD (0.40) CCR1DPP4KCNH2AGTR2MLYCD
SCHEMBL7283951 0.78 F2 (0.43) ALDH1A1CCR1LTB4R2POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545657-A 1-ALKYLOYLPYRROLIDIN-2-YLOXOALKANOIC ACIDS AND DERIVATIVES; ANTIAMNESIA AGENTS; INHIBITORS OF PROLYL ENDOPEPTIDASE; SUPPRESSION OF NEUROTRANSMITTER METABOLISM ONO PHARMACEUTICAL CO., LTD. (JP) 1996-08-13 US disclosed
US-5411974-A Thiazoline derivatives, treatment of amnesia ONO PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
US-5401760-A Thiazoline derivative for treating amnesia ONO PHARMACEUTICAL CO., LTD. (JP) 1995-03-28 US disclosed
US-5212191-A Thiazoline derivatives for treatment of amnesia ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 US disclosed
US-5053414-A Thiazolidine derivatives, enzyme inhibitors; amnesia ONO PHARMACEUTICAL CO., LTD. (JP) 1991-10-01 US disclosed