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SCHEMBL4089254

SCHEMBL4089254

C[C@H](NC(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1cccc2ccccc12.O=C(NC1CCCCCC1)c1cccc(NC(=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 4/20 0.44
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ METAP2 P50579 1/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ RHOC P08134 1/20 0.41
▸ RHOA P61586 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ KCNK3 O14649 1/20 0.40

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
SCHEMBL4089256 0.87 MAPT (0.40) ACKR3MAPTLMNAPOLBRXFP1
SCHEMBL3764435 0.84 RHOC (0.55) MAPTLMNARXFP1RHOCRHOA
SCHEMBL3771503 0.84 RHOC (0.55) MAPTLMNARXFP1RHOCRHOA
SCHEMBL3776735 0.79 ACKR3 (0.62) ACKR3MAPTLMNAHTR2BRHOC
SCHEMBL3764438 0.77 HTR2B (0.58) LMNAHTR2BKCNK3
SCHEMBL3771065 0.77 KCNK3 (0.58) RXFP1KCNK3
SCHEMBL3772371 0.77 KCNK3 (0.58) RXFP1KCNK3
SCHEMBL3771456 0.74 MEN1 (0.55) KCNK3
SCHEMBL3779790 0.74 MEN1 (0.55) KCNK3
SCHEMBL6813375 0.73 NPSR1 (0.64) MAPTLMNAHTR2BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 — — WO disclosed