SCHEMBL28909178

SCHEMBL28909178

Cn1ccc2cc(CCCl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.50
CYP2A6 P11509 1/20 0.46
CHRNA7 P36544 5/20 0.41
FAAH O00519 1/20 0.40
CACNA1H O95180 4/20 0.39
HSD11B1 P28845 1/20 0.39
PIK3CB P42338 1/20 0.39
TRPA1 O75762 1/20 0.38
SLC5A2 P31639 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP19A1 P11511 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KCNH2 Q12809 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
SCHEMBL30046101 1.00 PRKCI (0.50) PRKCICYP2A6CHRNA7FAAHCACNA1H
SCHEMBL18876154 0.84 PRKCI (0.52) PRKCICYP2A6CHRNA7FAAHCACNA1H
SCHEMBL14402849 0.82 PRKCI (0.50) PRKCICYP2A6CHRNA7FAAHCACNA1H
SCHEMBL20562931 0.82 PRKCI (0.59) PRKCICYP2A6CHRNA7FAAHHSD11B1
SCHEMBL30173446 0.81 PRKCI (0.49) PRKCICYP2A6CHRNA7FAAHHSD11B1
SCHEMBL10111229 0.81 PRKCI (0.49) PRKCICYP2A6CHRNA7FAAHHSD11B1
SCHEMBL8738295 0.79 PRKCI (0.55) PRKCICYP2A6CHRNA7FAAHCACNA1H
SCHEMBL24435113 0.79 PRKCI (0.47) PRKCICYP2A6CHRNA7FAAHHSD11B1
SCHEMBL12348264 0.79 OXER1 (0.53) PRKCICYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL14361605 0.78 PRKCI (0.53) PRKCICYP2A6CHRNA7FAAHCACNA1H

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
CN-115322132-B N-substituted indole compound and synthesis method thereof 陕西科技大学 2024-05-28 CN disclosed
CN-115322132-A N-substituted indole compound and synthetic method thereof 陕西科技大学 2022-11-11 CN disclosed