SCHEMBL4479912

SCHEMBL4479912

Cc1cc(OCC(O)CN2CCN(c3ccc(Cc4ccc(F)cc4)cc3)CC2)c(C)c(C)c1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ATM Q13315 1/20 0.56
ABCB1 P08183 9/20 0.56
MAPT P10636 5/20 0.54
LMNA P02545 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL3042690 1.00 MEN1 (0.56) MEN1KMT2AATMABCB1MAPT
SCHEMBL3042761 1.00 MEN1 (0.56) MEN1KMT2AATMABCB1MAPT
Hydrochloric Acid SCHEMBL3144341 0.99 MEN1 (0.58) MEN1KMT2AATMABCB1MAPT
SCHEMBL3041578 0.95 ABCB1 (0.54) MEN1KMT2AATMABCB1MAPT
SCHEMBL29375850 0.95 ABCB1 (0.54) MEN1KMT2AATMABCB1MAPT
SCHEMBL13515655 0.88 ABCB1 (0.57) MEN1KMT2AATMABCB1MAPT
SCHEMBL3255019 0.88 ABCB1 (0.57) MEN1KMT2AATMABCB1MAPT
SCHEMBL3045796 0.87 MEN1 (0.58) MEN1KMT2AATMABCB1MAPT
SCHEMBL13515707 0.87 MEN1 (0.58) MEN1KMT2AATMABCB1MAPT
SCHEMBL3038397 0.86 MAPT (0.57) MEN1KMT2AATMABCB1MAPT

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-2054033-A2 LIQUID PREPARATION Asubio Pharma Co., Ltd. (JP) 2009-05-06 EP claimed
WO-2008016165-A2 LIQUID PREPARATION ASUBIO PHARMA CO., LTD. (JP) 2008-02-07 WO claimed
US-7642262-B2 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2010-01-05 US disclosed