SCHEMBL8896148

SCHEMBL8896148

COC(=O)CC[C@H]1CC[C@H](N(CCCO)C(=O)Nc2ccc3c(c2)CCN(C(=O)C(F)(F)F)CC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.41
DCUN1D1 Q96GG9 3/20 0.39
UBE2M P61081 2/20 0.39

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
SCHEMBL8896160 1.00 MCHR1 (0.41) MCHR1DCUN1D1UBE2M
SCHEMBL8565613 0.95 DCUN1D1 (0.39) MCHR1DCUN1D1UBE2M
SCHEMBL8565611 0.95 DCUN1D1 (0.39) MCHR1DCUN1D1UBE2M
SCHEMBL7423187 0.85 ESR1 (0.39) MCHR1DCUN1D1UBE2M
SCHEMBL8898175 0.74 UBE2M (0.42) DCUN1D1UBE2M
SCHEMBL8567424 0.69 ESR1 (0.40)
SCHEMBL8567428 0.69 ESR1 (0.40)
SCHEMBL8562237 0.69 ESR1 (0.39)
SCHEMBL8564198 0.69 ESR1 (0.41)
SCHEMBL8895852 0.69 ESR1 (0.39)

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-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