SCHEMBL7272741

SCHEMBL7272741

COC(=O)C[C@@H]1C[C@@H](CCNC(=O)c2ccc3cc(C#N)ccc3c2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.42
ACHE P22303 1/20 0.41
DRD4 P21917 2/20 0.40
CHRM4 P08173 2/20 0.40
RAB9A P51151 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
CCR3 P51677 1/20 0.38
LMNA P02545 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL7281190 0.98 NAMPT (0.42) NAMPTACHEDRD4CHRM4RAB9A
SCHEMBL7273026 0.92 NAMPT (0.40) NAMPTDRD4RAB9ASLC6A2SLC6A4
SCHEMBL7274972 0.90 NAMPT (0.40) NAMPTDRD4RAB9ASLC6A2SLC6A4
SCHEMBL7281022 0.88 CHRM4 (0.42) NAMPTDRD4CHRM4RAB9ASLC6A2
Hydrochloric Acid SCHEMBL7283406 0.87 ACHE (0.41) NAMPTACHEDRD4CHRM4RAB9A
Hydrochloric Acid SCHEMBL7281722 0.85 DRD4 (0.40) ACHEDRD4CHRM4RAB9ASLC6A2
SCHEMBL7284718 0.84 HTR1A (0.42) NAMPTDRD4DRD2DRD3
SCHEMBL7274708 0.82 CHRM4 (0.42) NAMPTDRD4CHRM4RAB9ACCR3
SCHEMBL7275479 0.82 NAMPT (0.52) NAMPTDRD4CHRM4OPRM1DRD2
SCHEMBL7275082 0.82 CHRM4 (0.38) NAMPTCHRM4RAB9ALMNAOPRM1

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