SCHEMBL7857988

SCHEMBL7857988

Cc1ccc(C[C@H](NC(=O)[C@H](N)CCCN)C(=O)Nc2ccc3ccccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FCER2 P06734 2/20 0.46
▸ TACR1 P25103 7/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ BDKRB2 P30411 3/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ MMP2 P08253 2/20 0.42

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
SCHEMBL7860801 0.92 LTA4H (0.51) FCER2TACR1LTA4HMMP2
SCHEMBL7859203 0.89 LTA4H (0.55) FCER2TACR1LTA4HMMP2
SCHEMBL30753712 0.86 RAB9A (0.47) NPC1RAB9ABDKRB2LTA4HOPRD1
SCHEMBL10084130 0.83 FCER2 (0.44) FCER2TACR1LTA4HOPRD1MMP2
SCHEMBL7850353 0.83 LTA4H (0.50) FCER2LTA4HMMP2
Hydrochloric Acid SCHEMBL9951388 0.83 LTA4H (0.44) FCER2TACR1LTA4HMMP2
SCHEMBL8362464 0.82 LTA4H (0.56) NPC1RAB9ALTA4H
Hydrochloric Acid SCHEMBL9951384 0.82 FCER2 (0.42) FCER2TACR1LTA4HMMP2
SCHEMBL7850346 0.80 LTA4H (0.54) LTA4HMMP2
SCHEMBL18787564 0.80 SSTR3 (0.54) FCER2LTA4H

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-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 — — US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 — — WO disclosed
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