SCHEMBL7213758

SCHEMBL7213758

O=C(c1ccc2ccccc2c1)N1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
HPGD P15428 1/20 0.54
AKR1C1 Q04828 1/20 0.53
LMNA P02545 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
FAAH O00519 1/20 0.50
MGLL Q99685 1/20 0.50
ABHD6 Q9BV23 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HTT P42858 3/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL9036801 0.81 MAPK1 (0.54) TSHRHPGDLMNAALDH1A1HTT
SCHEMBL4310722 0.78 TSHR (0.84) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL7212601 0.78 ALDH1A1 (0.51) TSHRLMNAFAAHMGLLABHD6
SCHEMBL8349346 0.77 TSHR (0.68) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL7217691 0.76 ALDH1A1 (0.60) TSHRLMNAALDH1A1HTTHSD17B10
SCHEMBL31350761 0.76 FAAH (0.52) TSHRHPGDLMNAFAAHMGLL
SCHEMBL7218802 0.75 HPGD (0.73) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL7212381 0.74 HTT (0.55) TSHRHPGDLMNAFAAHMGLL
Ethylene SCHEMBL8518097 0.74 TSHR (0.64) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL10197843 0.73 HPGD (0.71) TSHRHPGDAKR1C1LMNANPC1

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-RE38257-E1 Piperdine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 2003-09-23 US disclosed