SCHEMBL5230775

SCHEMBL5230775

CNC(=O)COC(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 3/20 0.53
MEN1 O00255 2/20 0.53
PKM P14618 2/20 0.52
SLC6A7 Q99884 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL5237078 0.90 MAPT (0.53) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL24963646 0.80 ACHE (0.59) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL3265528 0.78 HDAC6 (0.47) KMT2APKMSLC6A7CA12CA1
SCHEMBL5232026 0.76 SLC6A7 (0.68) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL5238067 0.75 CA12 (0.53) MAPTALDH1A1HPGDCA12CA2
SCHEMBL5904089 0.75 PKM (0.60) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL8354208 0.74 ADRB1 (0.78) ALDH1A1KMT2APKMSLC6A7CA12
SCHEMBL5237366 0.73 AKR1C3 (0.52) MAPTALDH1A1SMN1; SMN2FAAH
SCHEMBL5239940 0.73 HIF1A (0.52) MAPTALDH1A1KMT2ASMN1; SMN2CYP2C9
SCHEMBL5235991 0.73 KDM4E (0.57) MAPTALDH1A1HPGDSMN1; SMN2CYP2C9

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
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