SCHEMBL5208540

SCHEMBL5208540

[CH2]c1ccc(C#N)cc1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
TSHR P16473 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CALM1 P0DP23 1/20 0.38
LMNA P02545 1/20 0.38
EGFR P00533 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL27402207 0.81 SLC5A2 (0.47) MAOBMAOABCL2BCL2L1TSHR
SCHEMBL6804939 0.81 KDM4E (0.45) MAOBMAOABCL2BCL2L1TSHR
SCHEMBL28943498 0.79 HRH3 (0.47) MAOBMAOATSHRCYP11B1CYP11B2
SCHEMBL5252001 0.79 MAOB (0.43) MAOBMAOABCL2BCL2L1TSHR
SCHEMBL28219660 0.77 PTPN1 (0.49) BCL2BCL2L1TSHRLMNA
SCHEMBL7572805 0.76 BCL2 (0.40) MAOBMAOABCL2BCL2L1TSHR
SCHEMBL854445 0.74 TSHR (0.59) MAOBMAOATSHRCALM1MAPT
SCHEMBL11292465 0.74 ALOX5 (0.61) BCL2BCL2L1TSHRALOX5
Bicarbonate SCHEMBL11600449 0.73 LMNA (0.43) MAOBBCL2BCL2L1CYP11B1CYP11B2
SCHEMBL4196662 0.73 HRH3 (0.54) MAOBMAOATSHRCYP11B1CYP11B2

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
EP-1556372-B1 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2007-05-30 EP claimed