SCHEMBL3038009

SCHEMBL3038009

COC1=CC(N2CCC(N3CCN(C)CC3)C2)=CC[CH]1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.33
ACVR1 Q04771 4/20 0.32
MRGPRX2 Q96LB1 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL3030864 0.92 PIM1 (0.36) PIM1ACVR1
SCHEMBL3039262 0.87 ALDH1A1 (0.37) PIM1ACVR1MRGPRX2HRH3
SCHEMBL3035433 0.86 HRH3 (0.42) HRH3
SCHEMBL13177796 0.66 ALK (0.44) ACVR1
SCHEMBL5836183 0.65 MAPT (0.59) ACVR1HRH3
SCHEMBL3034338 0.64 TSHR (0.37) HRH3
SCHEMBL15823491 0.62 TRPV6 (0.43)
SCHEMBL5836939 0.61 KDM4E (0.53) HRH3
SCHEMBL8439285 0.61 NCF1 (0.41) PIM1
SCHEMBL18379027 0.61 NCF1 (0.41) PIM1

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