SCHEMBL7931777

SCHEMBL7931777

CC(C#N)CCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.43
FAAH O00519 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7754777 0.93 FAAH (0.49) SIGMAR1FAAHL3MBTL1
SCHEMBL645917 0.90 FDFT1 (0.50)
SCHEMBL13900603 0.88 POLB (0.47)
SCHEMBL22636376 0.81 SIGMAR1 (0.43) SIGMAR1L3MBTL1
SCHEMBL19090603 0.77 SIGMAR1 (0.50) SIGMAR1L3MBTL1
SCHEMBL108633 0.77 LMNA (0.54) SIGMAR1L3MBTL1
SCHEMBL8008396 0.77 FAAH (0.44) SIGMAR1FAAH
SCHEMBL27703898 0.77 GRIK1 (0.46) SIGMAR1
SCHEMBL1344083 0.76 KCNH2 (0.46) SIGMAR1L3MBTL1
Hydrochloric Acid SCHEMBL30514257 0.75 LMNA (0.53) SIGMAR1

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-6310033-B1 2,4-DIMETHYL-5-PHENYLPENTANAL; PERFUMES BUSH BOAKE ALLEN INC. 2001-10-30 US disclosed