SCHEMBL9541317

SCHEMBL9541317

Cc1cccc(N(C(N)=O)C2CCCC(C3CCCCC3)N(CC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
TSHR P16473 3/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
CCR1 P32246 1/20 0.32
CCR2 P41597 1/20 0.32
HSD11B1 P28845 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALOX15 P16050 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL9362772 0.91 HSD11B1 (0.36) LMNASMN1; SMN2ALDH1A1MAPTCCKAR
SCHEMBL9362054 0.90 ALDH1A1 (0.45) LMNASMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL8921847 0.88 LMNA (0.34) LMNASMN1; SMN2RAB9ANPSR1CCR1
SCHEMBL9365841 0.86 NPSR1 (0.32) SMN1; SMN2ALDH1A1MAPTTSHRNPSR1
SCHEMBL8922451 0.86 LMNA (0.38) LMNASMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL8924472 0.84 L3MBTL1 (0.33) ALDH1A1MAPTNPSR1CCR1CCR2
SCHEMBL9362920 0.83 LMNA (0.37) LMNASMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL8919489 0.82 L3MBTL1 (0.37) SMN1; SMN2ALDH1A1MAPTCCKBRTSHR
SCHEMBL8919162 0.81 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPTCCKARCCKBR
SCHEMBL8926039 0.79 DRD2 (0.32) LMNASMN1; SMN2RAB9AALDH1A1MAPT

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-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO claimed