SCHEMBL17748901

SCHEMBL17748901

O=C(O)N1CCC(Cc2ccc(Br)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
FAAH O00519 1/20 0.51
CHRM2 P08172 1/20 0.49
CCR5 P51681 1/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPK14 Q16539 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
HTR2B P41595 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
SCHEMBL1008518 0.85 GRIN2D (0.59) MEN1KMT2AFAAH
SCHEMBL28246648 0.85 MEN1 (0.52) MEN1KMT2AFAAH
SCHEMBL2636547 0.85 MEN1 (0.68) MEN1KMT2AFAAHCYP2C9CYP2C19
SCHEMBL19994655 0.84 FAAH (0.45) CCR3MEN1KMT2AFAAH
SCHEMBL4959434 0.84 ALDH1A1 (0.59) CCR3MEN1KMT2AFAAHCYP2C9
SCHEMBL2925616 0.84 MEN1 (0.60) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL5931753 0.84 TACR3 (0.56) MEN1KMT2AFAAHCYP2C9CYP2C19
SCHEMBL15718800 0.84 MEN1 (0.51) MEN1KMT2AFAAHCCR5CYP2C9
SCHEMBL27953755 0.84 MEN1 (0.54) CCR3MEN1KMT2AFAAH
SCHEMBL5169485 0.84 FAAH (0.63) FAAHCYP2C9CYP2C19MAPK14LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310773-B1 SUBSTITUTED 4-BENZYL AND 4-BENZOYL PIPERIDINE DERIVATIVES 89BIO LTD (IL) 2020-12-02 EP disclosed
EP-3310773-A1 SUBSTITUTED 4-BENZYL AND 4-BENZOYL PIPERIDINE DERIVATIVES Cephalon, Inc. (US) 2018-04-25 EP disclosed
EP-3218374-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN Genentech, Inc. (US) 2017-09-20 EP disclosed
WO-2016205590-A1 SUBSTITUTED 4-BENZYL AND 4-BENZOYL PIPERIDINE DERIVATIVES CEPHALON, INC. (US) 2016-12-22 WO disclosed
WO-2016077380-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH, INC. (US) 2016-05-19 WO disclosed