SCHEMBL13314840

SCHEMBL13314840

CCc1ccccc1[C@@H]1CCc2nc(NC(=N)N)sc2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
LMNA P02545 8/20 0.44
TP53 P04637 4/20 0.44
THRB P10828 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 2/20 0.41
ALOX12 P18054 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3533584 1.00 MAPT (0.44) MAPTLMNATP53THRBNPSR1
Formic Acid SCHEMBL3533007 0.96 MAPT (0.42) MAPTLMNATP53THRBNPSR1
SCHEMBL3538231 0.86 MAPT (0.42) MAPTLMNATP53THRBNPSR1
SCHEMBL13314838 0.86 MAPT (0.42) MAPTLMNATP53THRBNPSR1
Formic Acid SCHEMBL3542530 0.84 MAPT (0.41) MAPTLMNATP53THRBNPSR1
SCHEMBL3536226 0.81 MAPT (0.61) MAPTLMNATP53THRBNPSR1
SCHEMBL13314768 0.81 MAPT (0.61) MAPTLMNATP53THRBNPSR1
SCHEMBL13314851 0.77 LMNA (0.46) MAPTLMNATP53THRBALDH1A1
SCHEMBL3534984 0.77 LMNA (0.46) MAPTLMNATP53THRBALDH1A1
SCHEMBL3536735 0.76 NPC1 (0.47) MAPTLMNATP53THRBNPSR1

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