SCHEMBL3724723

SCHEMBL3724723

CCc1ccc(C2CC(OC(=O)O)CN(C(=O)N3CCSCC3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 0.60
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
STAT1 P42224 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.36
CSF1R P07333 1/20 0.35
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL486021 0.91 F2R (0.64) F2RRAB9ANPC1MAPTSTAT1
SCHEMBL1580636 0.87 F2R (0.60) F2RRAB9ANPC1MAPTSTAT1
SCHEMBL1581192 0.87 F2R (0.77) F2RRAB9ANPC1MAPTSTAT1
SCHEMBL1580503 0.87 F2R (0.59) F2RRAB9ANPC1MAPTSTAT1
SCHEMBL3725314 0.87 F2R (0.47) F2R
SCHEMBL3793420 0.85 F2R (0.45) F2RALDH1A1
SCHEMBL1580496 0.85 F2R (0.58) F2RRAB9ANPC1MAPTSTAT1
SCHEMBL1056124 0.84 F2R (0.54) F2RRAB9ANPC1MAPTSTAT1
SCHEMBL3801687 0.83 F2R (0.43) F2R
SCHEMBL3802456 0.83 F2R (0.49) F2R

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-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136138-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed