SCHEMBL8092237

SCHEMBL8092237

CC1CN(c2c[c]ccc2)CC(C)O1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 4/20 0.40
RAB9A P51151 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1901893 0.78 MAPT (0.51) TSHRMAPTALDH1A1HSD17B10RAB9A
SCHEMBL10697816 0.77 TSHR (0.58) TSHRMAPTALDH1A1HSD17B10RAB9A
SCHEMBL18436103 0.77 TSHR (0.58) TSHRMAPTALDH1A1HSD17B10RAB9A
SCHEMBL16215117 0.77 TSHR (0.58) TSHRMAPTALDH1A1HSD17B10RAB9A
SCHEMBL3612096 0.77 BPTF (0.32)
SCHEMBL3600115 0.77 AR (0.33)
SCHEMBL3608705 0.76 EGLN2 (0.34)
SCHEMBL3598563 0.76 PDK2 (0.39) TSHRMAPTALDH1A1RAB9AKMT2A
SCHEMBL3602201 0.76 PDK2 (0.39) TSHRMAPTALDH1A1RAB9AKMT2A
SCHEMBL3599856 0.76 PDK2 (0.39) TSHRMAPTALDH1A1RAB9AKMT2A

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
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed