SCHEMBL17199812

SCHEMBL17199812

O=C(O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.70
CYP2D6 P10635 1/20 0.69
ALDH1A1 P00352 4/20 0.62
PKM P14618 2/20 0.62
KMT2A Q03164 3/20 0.59
TSHR P16473 3/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
KDM4E B2RXH2 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
HTT P42858 1/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
FABP1 P07148 1/20 0.57
FABP6 P51161 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
NR1H4 Q96RI1 1/20 0.56
GAA P10253 1/20 0.55
MEN1 O00255 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
SCHEMBL2853078 0.91 KMT2A (0.70) FAAHALDH1A1KMT2ATSHRKDM4E
SCHEMBL5774801 0.86 FAAH (0.57) FAAHCYP2D6ALDH1A1PKMKMT2A
SCHEMBL3602222 0.82 FAAH (1.00) FAAHTSHRNPC1RAB9AHTT
SCHEMBL27744585 0.81 KMT2A (0.58) FAAHALDH1A1KMT2ATSHRKDM4E
SCHEMBL27663681 0.81 ALDH1A1 (0.70) FAAHALDH1A1KMT2ATSHRKDM4E
SCHEMBL27683352 0.80 KMT2A (0.58) FAAHALDH1A1KMT2ATSHRKDM4E
SCHEMBL2592454 0.80 FAAH (0.71) FAAHCYP2D6ALDH1A1KMT2ATSHR
SCHEMBL5369043 0.79 FAAH (0.50) FAAHCYP2D6ALDH1A1PKMKMT2A
SCHEMBL31708753 0.79 FAAH (0.64) FAAHCYP2D6ALDH1A1PKMKMT2A
SCHEMBL1064531 0.79 ALDH1A1 (0.71) FAAHALDH1A1KMT2ATSHRKDM4E

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-2937341-A1 4-(BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID PHENYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS Janssen Pharmaceutica N.V. (BE) 2015-10-28 EP disclosed