SCHEMBL7202777

SCHEMBL7202777

N=C(N)CCc1ccccc1CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.42
PNMT P11086 3/20 0.40
DPP4 P27487 2/20 0.38
HTR2A P28223 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
IDO1 P14902 2/20 0.35
NOS1 P29475 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
TMPRSS6 Q8IU80 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
F10 P00742 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
HSPA5 P11021 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4841912 0.78 TAAR1 (0.57) TAAR1IDO1F2HPGD
Hydrochloric Acid SCHEMBL4717599 0.76 TAAR1 (0.55) TAAR1IDO1HPGD
Hydrochloric Acid SCHEMBL4714930 0.76 TAAR1 (0.56) TAAR1PNMTSMN1; SMN2HTTLMNA
SCHEMBL3680160 0.76 LMNA (0.45) TAAR1SMN1; SMN2HTTLMNAIDO1
SCHEMBL3630056 0.76 MTNR1A (0.56) HTTHPGD
SCHEMBL8109289 0.75 KEAP1 (0.54) DPP4SMN1; SMN2KDM4E
SCHEMBL29405036 0.74 PNMT (0.63) TAAR1PNMTDPP4SMN1; SMN2KDM4E
SCHEMBL15247 0.74 PNMT (0.63) TAAR1PNMTDPP4SMN1; SMN2KDM4E
SCHEMBL632593 0.73 DPP4 (0.48) TAAR1PNMTDPP4HTR2ASMN1; SMN2
SCHEMBL3051426 0.72 TAAR1 (0.61) TAAR1PNMTDPP4HTR2ASMN1; SMN2

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
US-20030104348-A1 Kidney perfusion solution containing nitric oxide donor HERMACELL PERFUSION, INC. 2003-06-05 US claimed