SCHEMBL6790854

SCHEMBL6790854

CN1CCN(C(=O)CCC(CSc2ccccc2)N(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
FKBP1A P62942 1/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL6790851 1.00 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1USP2ALDH1A1
SCHEMBL6792267 0.78 MTNR1A (0.38) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6792263 0.78 MTNR1A (0.38) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL14223693 0.77 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1USP2ALDH1A1
SCHEMBL2949765 0.76 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1USP2ALDH1A1
SCHEMBL2949763 0.76 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1USP2ALDH1A1
SCHEMBL13503683 0.75 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1USP2ALDH1A1
SCHEMBL6794137 0.74 LMNA (0.46) SMN1; SMN2RAB9ANPC1USP2ALDH1A1
SCHEMBL18719831 0.74 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ANPC1USP2ALDH1A1
SCHEMBL22409405 0.71 ALDH1A1 (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A

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
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed