SCHEMBL8564530

SCHEMBL8564530

CCCN1CCc2ccc(N3CCN([C@H]4CC[C@H](CCC(=O)O)CC4)C3=O)cc2CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
ACHE P22303 6/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KHK P50053 1/20 0.35
S1PR1 P21453 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
PRSS1 P07477 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL8564532 1.00 F2 (0.38) F2F10ACHETMEM97SIGMAR1
Hydrochloric Acid SCHEMBL7470901 0.93 F10 (0.39) F2F10ACHES1PR1PRSS1
SCHEMBL8562653 0.93 F10 (0.39) F2F10ACHETMEM97SIGMAR1
SCHEMBL8562646 0.93 F10 (0.39) F2F10ACHETMEM97SIGMAR1
Hydrochloric Acid SCHEMBL8560802 0.92 F10 (0.38) F2F10ACHETMEM97SIGMAR1
SCHEMBL8562349 0.91 F2 (0.39) F2F10ACHEKHKS1PR1
SCHEMBL8562341 0.91 F2 (0.39) F2F10ACHEKHKS1PR1
Hydrochloric Acid SCHEMBL8562318 0.91 F10 (0.38) F2F10ACHEPRSS1DRD2
Hydrochloric Acid SCHEMBL8560749 0.91 F2 (0.38) F2F10ACHEKHKPRSS1
SCHEMBL7479653 0.89 DRD2 (0.37) F2F10ACHEPRSS1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed
US-5612335-A ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART KARL THOMAE GMBH (DE) 1997-03-18 US disclosed
US-5519036-A IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION KARL THOMAE GMBH (DE) 1996-05-21 US disclosed