SCHEMBL16825166

SCHEMBL16825166

O=C(O)N1CCC(Cc2ccc3cc(F)ccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.50
CCR3 P51677 7/20 0.46
MCHR1 Q99705 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL29453749 0.86 ACHE (0.56) MEN1KMT2A
SCHEMBL1581690 0.86 ACHE (0.56) MEN1KMT2A
SCHEMBL2925616 0.86 MEN1 (0.60) MEN1KMT2APOLBCYP2C9CYP2C19
SCHEMBL23365213 0.83 CYP2C9 (0.54) MEN1KMT2APOLBCYP2C9CYP2C19
SCHEMBL23327685 0.83 CYP2C9 (0.52) MEN1KMT2APOLBCCR3CYP2C9
SCHEMBL18280185 0.82 GPR119 (0.49) MEN1KMT2ACCR3
SCHEMBL23365206 0.82 CYP2C9 (0.52) MEN1KMT2APOLBCCR3CYP2C9
SCHEMBL19994627 0.81 MEN1 (0.55) MEN1KMT2APOLBCCR3CYP2C9
SCHEMBL23365142 0.78 CCR3 (0.57) MEN1KMT2ACCR3CYP2C9CYP2C19
SCHEMBL1872372 0.78 CYP2C9 (0.49) MEN1KMT2ACCR3CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083584-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN THE TREATMENT OF TISSUE FIBROSIS SUNSHINE LAKE PHARMA CO LTD (CN) 2018-02-21 EP disclosed
EP-3083584-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2016-10-26 EP disclosed
WO-2015090232-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-25 WO disclosed