SCHEMBL8838136

SCHEMBL8838136

CC(NC(=O)N1CCN(c2ccncc2)CC1)(C(=O)O)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.47
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 1/20 0.43
CHKA P35790 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 3/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AKR1C3 P42330 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NAMPT P43490 1/20 0.39
SLC2A1 P11166 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 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
Hydrochloric Acid SCHEMBL8837962 0.99 TRPV1 (0.46) TRPV1ROCK2ROCK1CHKASMN1; SMN2
SCHEMBL8635363 0.77 SLC2A1 (0.45) SMN1; SMN2GAACYP2C9SLC2A1
Hydrochloric Acid SCHEMBL8838039 0.76 TRPV1 (0.47) TRPV1ROCK2ROCK1SMN1; SMN2ALDH1A1
SCHEMBL8838001 0.74 TRPV1 (0.56) TRPV1ROCK2ROCK1CHKASMN1; SMN2
SCHEMBL8838124 0.73 TRPV1 (0.61) TRPV1ROCK2ROCK1CHKASMN1; SMN2
SCHEMBL8838181 0.73 TRPV1 (0.49) TRPV1ROCK2ROCK1CHKASMN1; SMN2
SCHEMBL8838169 0.73 CHKA (0.44) TRPV1ROCK2ROCK1CHKASMN1; SMN2
SCHEMBL27471218 0.72 ALDH1A1 (0.66) TRPV1CHKASMN1; SMN2GAAALDH1A1
SCHEMBL19002608 0.70 CYP2C9 (0.51) TRPV1CHKASMN1; SMN2GAAHIF1A
Trifluoroacetic Acid SCHEMBL6986818 0.70 CHKA (0.63) CHKASMN1; SMN2HIF1ACYP2C9TSHR

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-5700801-A ANTIINFLAMMATORY AGENTS, BONE DISORDERS KARL THOMAE, GMBH (DE) 1997-12-23 US disclosed