SCHEMBL14045004

SCHEMBL14045004

CN1CCc2cc(C(=O)N3C[C@H](NC(=O)c4ccc(Cl)s4)CC3C(=O)O)sc2CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.47
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
WDR91 A4D1P6 1/20 0.38
NPC1 O15118 1/20 0.37
PRNP P04156 1/20 0.37
RAB9A P51151 1/20 0.37
MMP2 P08253 3/20 0.37
ANPEP P15144 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL14044947 1.00 F10 (0.47) F10LMNAMAPK1KMT2AWDR91
SCHEMBL3308362 1.00 F10 (0.47) F10LMNAMAPK1KMT2AWDR91
SCHEMBL3309229 0.96 F10 (0.50) F10LMNAMAPK1KMT2AWDR91
SCHEMBL13394917 0.93 F10 (0.47) F10LMNAMAPK1KMT2AWDR91
SCHEMBL3339773 0.91 F10 (0.46) F10LMNAMAPK1KMT2AWDR91
SCHEMBL13394956 0.91 F10 (0.45) F10LMNAMAPK1KMT2AWDR91
SCHEMBL3308991 0.90 F10 (0.46) F10LMNAMAPK1KMT2AWDR91
SCHEMBL13394967 0.90 F10 (0.46) F10LMNAMAPK1KMT2AWDR91
SCHEMBL13394962 0.90 F10 (0.46) F10LMNAMAPK1KMT2AWDR91
SCHEMBL3308996 0.90 F10 (0.46) F10LMNAMAPK1KMT2AWDR91

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-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 WO disclosed