SCHEMBL13898494

SCHEMBL13898494

CN1CC=C(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.92

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.68
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HTR1A P08908 1/20 0.50
ALOX15 P16050 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR6 P50406 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL16862164 0.96 QDPR (0.67) QDPRNPC1RAB9AKMT2AKDM4E
SCHEMBL50923 0.96 QDPR (0.67) QDPRNPC1RAB9AKMT2AKDM4E
Ammonia Solution, Strong SCHEMBL15875021 0.94 QDPR (0.65) QDPRNPC1RAB9AKMT2AKDM4E
Bromide SCHEMBL11557389 0.94 QDPR (0.65) QDPRNPC1RAB9AKMT2AKDM4E
Hydrochloric Acid SCHEMBL1148906 0.94 QDPR (0.65) QDPRNPC1RAB9AKMT2AKDM4E
Hydrochloric Acid SCHEMBL19717522 0.92 QDPR (0.62) QDPRKDM4ELMNAPOLBHTR1A
SCHEMBL16565762 0.85 QDPR (0.53) QDPRNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6517404 0.84 QDPR (0.50) QDPRNPC1RAB9AKMT2AKDM4E
SCHEMBL7369176 0.84 QDPR (0.72) QDPRSLC6A4
SCHEMBL13591401 0.83 QDPR (0.49) QDPRNPC1RAB9AKMT2A

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-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed