SCHEMBL7273515

SCHEMBL7273515

COC(=O)C[C@@H]1C[C@@H](CNC(=O)c2ccc3c(c2)CCC(C#N)C3)N(CCCc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.38
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
LMNA P02545 1/20 0.34
NAMPT P43490 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL7275082 0.93 CHRM4 (0.38) OPRM1OPRD1LMNANAMPT
SCHEMBL7275558 0.93 MTNR1A (0.38) MTNR1AHTR1AOPRM1OPRD1NAMPT
SCHEMBL7281991 0.86 KMT2A (0.36) MTNR1AHTR1A
SCHEMBL7275524 0.85 ITGB3 (0.41) MTNR1AOPRM1OPRD1NAMPT
SCHEMBL7273510 0.84 XIAP (0.32)
SCHEMBL7276445 0.83 NAMPT (0.40) HTR1AOPRM1NAMPT
SCHEMBL7284718 0.82 HTR1A (0.42) HTR1ADRD2DRD3NAMPT
SCHEMBL7273026 0.81 NAMPT (0.40) HTR1ADRD2DRD3OPRM1OPRD1
SCHEMBL7274972 0.81 NAMPT (0.40) HTR1ADRD2DRD3NAMPT
SCHEMBL7274708 0.81 CHRM4 (0.42) HTR1AOPRM1OPRD1LMNANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed