SCHEMBL8552944

SCHEMBL8552944

COc1nc2ccccc2cc1NC(=O)c1ccccc1OC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 3/20 0.54
BRPF1 P55201 4/20 0.52
RXFP1 Q9HBX9 2/20 0.48
BRD4 O60885 1/20 0.48
KCNK3 O14649 4/20 0.47
KCNK9 Q9NPC2 4/20 0.47
GAA P10253 3/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
HTR2A P28223 1/20 0.45
TSPO P30536 1/20 0.45
GPR183 P32249 1/20 0.45
APLNR P35414 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL8549283 0.80 MAPT (0.56) RAB9ASMN1; SMN2MAPTRXFP1GAA
SCHEMBL261957 0.77 MAPT (0.49) RAB9ASMN1; SMN2MAPTGAANPC1
SCHEMBL15528489 0.74 TSHR (0.74) MAPTBRPF1RXFP1KCNK3KCNK9
SCHEMBL846695 0.73 TRPV1 (0.58) RAB9ASMN1; SMN2MAPTKCNK9NPC1
SCHEMBL15945345 0.73 MAPT (0.55) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL6964824 0.71 ALDH1A1 (0.51) RAB9ASMN1; SMN2MAPTGAANPC1
SCHEMBL11374287 0.71 GAA (0.56) MAPTBRPF1RXFP1KCNK3KCNK9
SCHEMBL6966994 0.70 KMT2A (0.55) SMN1; SMN2MAPTGAAALDH1A1KMT2A
SCHEMBL6956521 0.70 MAPT (0.42) RAB9ASMN1; SMN2MAPTGAANPC1
SCHEMBL2040491 0.70 ALDH1A1 (0.59) RAB9ASMN1; SMN2MAPTGAAALDH1A1

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-0850222-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 1998-07-01 EP disclosed
WO-1998000402-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1998-01-08 WO disclosed