SCHEMBL3030864

SCHEMBL3030864

COC1=CC(N2CCC(N3CCN(C)CC3)CC2)=CC[CH]1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
ACVR1 Q04771 8/20 0.35
FGFR3 P22607 6/20 0.32
KCNH2 Q12809 2/20 0.32
VCP P55072 1/20 0.32
ALDH1A1 P00352 1/20 0.32
INSR P06213 2/20 0.32
IGF1R P08069 2/20 0.32
ALK Q9UM73 2/20 0.32

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
SCHEMBL3039262 0.95 ALDH1A1 (0.37) PIM1ACVR1FGFR3KCNH2ALDH1A1
SCHEMBL3038009 0.92 PIM1 (0.33) PIM1ACVR1
SCHEMBL3035433 0.77 HRH3 (0.42) ALDH1A1
SCHEMBL3034338 0.69 TSHR (0.37) KCNH2ALDH1A1
SCHEMBL15823491 0.67 TRPV6 (0.43) ALDH1A1
SCHEMBL26418370 0.65 DRD2 (0.71) ALDH1A1
SCHEMBL19288664 0.64 TSHR (0.61) KCNH2VCPALDH1A1
SCHEMBL30378754 0.64 TSHR (0.61) KCNH2VCPALDH1A1
SCHEMBL3436969 0.64 L3MBTL1 (0.46) PIM1ACVR1VCPALDH1A1
SCHEMBL13849358 0.63 FGFR3 (0.46) ACVR1FGFR3KCNH2INSRIGF1R

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
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed