SCHEMBL8901909

SCHEMBL8901909

Cc1cccc(N2CCN(C(=O)CCCCBr)CC2)c1C

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
ALDH1A1 P00352 4/20 0.67
KMT2A Q03164 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
TSHR P16473 2/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
MAPK1 P28482 1/20 0.67
KDM4E B2RXH2 1/20 0.63
ALOX15 P16050 1/20 0.63
HSD17B10 Q99714 1/20 0.63
LMNA P02545 5/20 0.61
MEN1 O00255 3/20 0.61
HTT P42858 2/20 0.61
ADAMTS5 Q9UNA0 3/20 0.59
AR P10275 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL8902390 0.99 MAPT (0.66) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL9052676 0.86 MAPT (0.69) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL4079406 0.86 MAPT (0.72) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL8912424 0.86 MAPT (0.72) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL8706041 0.85 MAPT (0.71) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL9987606 0.83 MAPT (0.67) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL22053945 0.81 MAPT (0.72) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL9051544 0.80 MAPT (0.71) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL3301622 0.80 MAPT (0.71) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL7672873 0.79 L3MBTL1 (0.65) ALDH1A1KMT2ASMN1; SMN2TSHRRAB9A

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
WO-1997014689-A1 ARYL-PIPERAZINE CYCLIC AMINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PIERRE FABRE MEDICAMENT (FR) 1997-04-24 WO disclosed