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SCHEMBL7415239

SCHEMBL7415239

CC(C)[C@H](COCc1cccnc1)NC(=O)C(F)(F)C(=O)C(Cc1ccc(OCc2cccnc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccn1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.41
▸ GPR132 Q9UNW8 3/20 0.41
▸ ACACB O00763 1/20 0.40
▸ PGA5 P0DJD9 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CTSD P07339 2/20 0.38
▸ ELANE P08246 1/20 0.37
▸ PLG P00747 1/20 0.37

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
SCHEMBL7421382 0.99 REN (0.42) RENGPR132ACACBPGA5CTSL
SCHEMBL7421246 0.93 GPR132 (0.44) RENGPR132ACACBCTSLCTSB
SCHEMBL7417968 0.93 GPR132 (0.44) RENGPR132ACACBCTSLCTSB
SCHEMBL7423864 0.93 REN (0.45) RENPGA5CTSDELANE
SCHEMBL7418157 0.90 REN (0.45) RENPGA5CTSDELANE
SCHEMBL7425178 0.89 GPR132 (0.44) GPR132ACACBCTSLCTSBCYP3A4
SCHEMBL8945566 0.87 CTSD (0.47) RENCTSBCTSD
SCHEMBL7933938 0.87 CTSD (0.47) RENCTSBCTSD
SCHEMBL7425885 0.84 CTSD (0.44) RENGPR132ACACBCYP3A4CTSD
SCHEMBL7418725 0.81 MME (0.46) —

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
WO-1996002499-A1 DIFLUOROSTATONE ANTIVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-02-01 — — WO claimed
WO-1996002499-A1 DIFLUOROSTATONE ANTIVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-02-01 — — WO disclosed