SCHEMBL630705

SCHEMBL630705

Cc1ccc(C)c(N2CCN(C(=O)O)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
MEN1 O00255 4/20 0.70
TSHR P16473 2/20 0.70
LMNA P02545 4/20 0.62
ALDH1A1 P00352 3/20 0.62
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 3/20 0.56
MAPT P10636 5/20 0.55
OPRK1 P41145 1/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.53
ALOX12 P18054 1/20 0.53

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
SCHEMBL9052600 0.87 HTT (0.71) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL27577317 0.84 MEN1 (0.72) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL20708692 0.83 KMT2A (1.00) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL27664371 0.81 MAPT (0.54) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL631024 0.79 AKR1C3 (0.65) KMT2ATSHRLMNAALDH1A1HTT
SCHEMBL10144699 0.79 KMT2A (0.70) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL28262527 0.79 TSHR (0.64) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL14452912 0.78 TSHR (0.71) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL16276043 0.77 MAPT (0.63) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL13292998 0.77 MEN1 (0.57) KMT2AMEN1TSHRLMNAALDH1A1

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-2234992-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-02-22 EP claimed
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed