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SCHEMBL4686567

SCHEMBL4686567

CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Cc4ccc(NC(=O)NC(C)C)cc4)cc3)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4)c(C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 6/20 0.40
▸ EPHX2 P34913 3/20 0.40
▸ UBE2M P61081 4/20 0.40
▸ DCUN1D1 Q96GG9 4/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40
▸ BRAF P15056 4/20 0.39
▸ ARAF P10398 3/20 0.39
▸ KDR P35968 2/20 0.38
▸ FGFR1 P11362 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ RORC P51449 1/20 0.36
▸ CYP2C9 P11712 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
SCHEMBL4234052 0.94 EPHX2 (0.43) RAF1EPHX2UBE2MDCUN1D1SLC6A5
SCHEMBL4236380 0.85 HRH3 (0.47) SLC6A5HRH3
SCHEMBL4233284 0.85 CCR3 (0.45) EPHX2BRAFKDRFGFR1HRH3
SCHEMBL4228669 0.84 HRH3 (0.40) FGFR1HRH3
SCHEMBL4233740 0.84 MCHR1 (0.39) KDRFGFR1HRH3
SCHEMBL4238977 0.84 MCHR1 (0.39) FGFR1HRH3
SCHEMBL4236318 0.84 MCHR1 (0.39) KDRFGFR1HRH3
SCHEMBL4233858 0.84 SMN1; SMN2 (0.42) RAF1BRAFARAFKDRCYP2C9
SCHEMBL4688148 0.84 CCR3 (0.49) RAF1EPHX2UBE2MDCUN1D1SLC6A5
SCHEMBL4233894 0.84 MCHR1 (0.47) KDRFGFR1

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
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 — — EP claimed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 — — WO claimed