SCHEMBL7313614

SCHEMBL7313614

CCOC(=O)CCN1CCC(N2CCN(c3ccc(C4=NOC(c5ccccc5)N4)cc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.42
SIGMAR1 Q99720 5/20 0.42
SLC6A2 P23975 2/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
CHRM1 P11229 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAPT P10636 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL7310162 0.97 TMEM97 (0.42) TMEM97SIGMAR1SLC6A2HRH2HRH1
SCHEMBL7313686 0.92 ITGB3 (0.40) MAPTNPSR1POLBKDM4ECYP2C9
SCHEMBL7315940 0.89 KDM4E (0.38) POLBKDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL7317045 0.85 MAPT (0.45) MAPTPOLBKDM4EALDH1A1
SCHEMBL7313691 0.82 NPSR1 (0.36) TMEM97SIGMAR1MAPTNPSR1KDM4E
SCHEMBL7307820 0.72 ITGB3 (0.46) TMEM97SIGMAR1SLC6A2HRH2HRH1
SCHEMBL5010667 0.71 HTR1A (0.61) TMEM97SIGMAR1SLC6A2HRH2HRH1
SCHEMBL2085619 0.71 SMN1; SMN2 (0.54) KDM4EALDH1A1
SCHEMBL1206024 0.71 SMN1; SMN2 (0.54) KDM4EALDH1A1
SCHEMBL27464927 0.70 DGAT1 (0.47) MAPTALOX15

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
US-6455529-B1 OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-09-24 US disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed