SCHEMBL13314760

SCHEMBL13314760

CC(C)[C@H]1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.46
NPC1 O15118 9/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
TP53 P04637 5/20 0.41
ALDH1A1 P00352 8/20 0.40
MAPT P10636 7/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 4/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 2/20 0.36
ALOX12 P18054 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL3539167 1.00 RAB9A (0.46) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL13314769 0.82 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL3540501 0.82 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL13314763 0.79 MAPT (0.57) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL3536479 0.79 MAPT (0.57) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL13314905 0.78 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL13314888 0.77 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4421639 0.77 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL13314762 0.77 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL3542473 0.77 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed