SCHEMBL3466449

SCHEMBL3466449

O=C(c1cc(F)ccc1C(F)(F)F)N1C[CH]NCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
SCD O00767 1/20 0.41
P2RX7 Q99572 5/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
MAPT P10636 1/20 0.36
GPR183 P32249 1/20 0.36
MGLL Q99685 1/20 0.36
PARP1 P09874 1/20 0.35
CACNA1B Q00975 1/20 0.35
SMO Q99835 1/20 0.35

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
SCHEMBL938535 0.84 HCRTR1 (0.50) HCRTR1HCRTR2SCDPSEN1PSEN2
Hydrochloric Acid SCHEMBL224268 0.83 HCRTR1 (0.49) HCRTR1HCRTR2SCDPSEN1PSEN2
SCHEMBL2821695 0.76 HCRTR1 (0.50) HCRTR1HCRTR2SCDP2RX7PSEN1
SCHEMBL2820773 0.74 HCRTR1 (0.48) HCRTR1HCRTR2SCDP2RX7PSEN1
SCHEMBL2825405 0.74 HCRTR1 (0.48) HCRTR1HCRTR2SCDP2RX7PSEN1
SCHEMBL2817774 0.73 HCRTR1 (0.48) HCRTR1HCRTR2SCDP2RX7MGLL
SCHEMBL30691929 0.73 GPR183 (0.50) HCRTR1HCRTR2SCDP2RX7GPR183
SCHEMBL937498 0.73 GPR183 (0.50) HCRTR1HCRTR2SCDP2RX7GPR183
SCHEMBL1222670 0.73 SCD (0.48) HCRTR1HCRTR2SCDP2RX7PSEN1
Hydrochloric Acid SCHEMBL2817771 0.72 HCRTR1 (0.48) HCRTR1HCRTR2SCDP2RX7MGLL

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-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed