SCHEMBL7846882

SCHEMBL7846882

O=C(c1ccc(F)cc1)N1CCN2C(=O)CCC2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
HSD11B1 P28845 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
VNN1 O95497 2/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
GRM5 P41594 1/20 0.45
CLPP Q16740 1/20 0.45
SLC18A3 Q16572 1/20 0.44

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
SCHEMBL7838470 0.86 PKM (0.53) HSD11B1L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL7849411 0.86 KDM4E (0.48) L3MBTL1KDM4EALDH1A1KMT2ACA12
SCHEMBL984997 0.85 SMN1; SMN2 (0.56) HSD11B1KDM4EALDH1A1CA12CA1
SCHEMBL984356 0.85 SMN1; SMN2 (0.56) HSD11B1KDM4EALDH1A1CA12CA1
SCHEMBL984354 0.85 SMN1; SMN2 (0.56) HSD11B1KDM4EALDH1A1CA12CA1
SCHEMBL984361 0.80 MEN1 (0.52) HSD11B1L3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL985136 0.80 MEN1 (0.52) HSD11B1L3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL984360 0.80 MEN1 (0.52) HSD11B1L3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL7846393 0.76 NPC1 (0.45) NPC1RAB9AATMHSD11B1L3MBTL1
SCHEMBL23392434 0.75 AKR1C3 (0.39) NPC1RAB9AMEN1KMT2AVNN1

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-1118612-A1 Piperazine derivatives possesing nootropic activity Universita Degli Studi di Firenze (IT) 2001-07-25 EP claimed
EP-1118612-A1 Piperazine derivatives possesing nootropic activity Universita Degli Studi di Firenze (IT) 2001-07-25 EP disclosed