SCHEMBL13296403

SCHEMBL13296403

CCC#CCn1ccnc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 5/20 0.38
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
MAPT P10636 1/20 0.34
TP53 P04637 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
SCHEMBL5297053 0.79 SMN1; SMN2 (0.56) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19
SCHEMBL21051537 0.79 SMN1; SMN2 (0.49) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19
SCHEMBL12869205 0.75 SMN1; SMN2 (0.56) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19
SCHEMBL15014467 0.74 SMN1; SMN2 (0.60) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19
SCHEMBL21872285 0.72 SMN1; SMN2 (0.53) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19
SCHEMBL3053628 0.72 SMN1; SMN2 (0.53) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19
SCHEMBL10147187 0.72 SMN1; SMN2 (0.53) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19
SCHEMBL9810706 0.72 SMN1; SMN2 (0.57) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19
SCHEMBL26027171 0.72 SMN1; SMN2 (0.53) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19
SCHEMBL12424656 0.71 ALDH1A1 (0.59) SMN1; SMN2KCNH2CYP2D6TSHRCYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732416-B2 For protecting plants against parasitic feeding pests; also against the infestation of pets, especially cats and dogs, by fleas, ticks and nematodes; pesticides for crop protection MERIAL LIMITED (US) 2010-06-08 US disclosed
US-7605134-B2 Pesticides MERIAL LIMITED (US) 2009-10-20 US disclosed
EP-1421094-B1 4\"-DEOXY-4\"-(S)-AMINO AVERMECTIN DERIVATIVES MERIAL LTD (GB) 2008-10-15 EP disclosed