SCHEMBL7390348

SCHEMBL7390348

COC(=O)[C@H]1CC[C@H](N2CCN(c3ccc(C4CCN(C(=O)C(F)(F)F)CC4)cc3)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
DGAT1 O75907 6/20 0.35
F10 P00742 1/20 0.35
P2RY14 Q15391 1/20 0.35
USP30 Q70CQ3 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM1A O60341 1/20 0.34
NAMPT P43490 1/20 0.34
PDK2 Q15119 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL7390351 1.00 HRH3 (0.41) HRH3DGAT1F10P2RY14USP30
SCHEMBL7392094 0.90 POLB (0.41) DGAT1F10ALDH1A1PDK2
SCHEMBL7392091 0.90 POLB (0.41) DGAT1F10ALDH1A1PDK2
SCHEMBL8417020 0.84 RORC (0.38) HRH3F10USP30ALDH1A1PDK2
SCHEMBL8417022 0.84 RORC (0.38) HRH3F10USP30ALDH1A1PDK2
Hydrochloric Acid SCHEMBL7390541 0.82 HRH3 (0.43) HRH3ALDH1A1NAMPTBTK
SCHEMBL8413959 0.80 SMN1; SMN2 (0.48)
SCHEMBL8413955 0.80 SMN1; SMN2 (0.48)
SCHEMBL7356039 0.80 HRH3 (0.37) HRH3DGAT1P2RY14ALDH1A1KDM1A
SCHEMBL7356046 0.80 HRH3 (0.37) HRH3DGAT1P2RY14ALDH1A1KDM1A

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-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed