SCHEMBL20017818

SCHEMBL20017818

C[N+]1(Cc2ccc(N)cc2)CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.62
CHRNA4 P43681 1/20 0.62
CHRNA7 P36544 4/20 0.59
ALDH1A1 P00352 2/20 0.41
GFER P55789 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
CCR5 P51681 5/20 0.35
LMNA P02545 1/20 0.35
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35
EIF4H Q15056 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL15429134 0.89 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA7ALDH1A1CCR5
SCHEMBL22767607 0.87 CHRNA7 (0.73) CHRNB2CHRNA4CHRNA7CCR5PABPC1
Water SCHEMBL26627018 0.85 CHRNA7 (0.70) CHRNB2CHRNA4CHRNA7CCR5PABPC1
SCHEMBL14951084 0.83 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA7CCR5
SCHEMBL12682791 0.82 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA7CCR5LMNA
SCHEMBL20017727 0.81 CHRNA7 (0.43) CHRNB2CHRNA4CHRNA7ALDH1A1GFER
SCHEMBL12014140 0.81 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7CCR5PABPC1
SCHEMBL18459295 0.79 LMNA (0.51) CHRNB2CHRNA4CHRNA7ALDH1A1GFER
SCHEMBL10256901 0.79 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA7ALDH1A1CCR5
SCHEMBL724930 0.79 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA7ALDH1A1CCR5

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
EP-2681247-B1 Polymers containing an acid group and their use as a catalyst CADENA BIO INC (US) 2018-04-04 EP disclosed