SCHEMBL8484580

SCHEMBL8484580

[NH]C(=O)N1CCN(C2CCNCC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.48
▸ HTR2B P41595 3/20 0.48
▸ HTR2A P28223 2/20 0.48
▸ GPBAR1 Q8TDU6 16/20 0.44

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
SCHEMBL22605561 0.86 GPBAR1 (0.50) HTR2CHTR2BHTR2AGPBAR1
Trifluoroacetic Acid SCHEMBL22587774 0.78 GPBAR1 (0.44) HTR2CHTR2BHTR2AGPBAR1
SCHEMBL27988819 0.77 GPBAR1 (0.54) GPBAR1
Hydrochloric Acid SCHEMBL27988803 0.75 GPBAR1 (0.53) GPBAR1
SCHEMBL15933941 0.74 GPBAR1 (0.59) GPBAR1
SCHEMBL7104439 0.72 HTR2C (0.40) HTR2CHTR2BHTR2AGPBAR1
SCHEMBL27988483 0.72 GPBAR1 (0.56) GPBAR1
SCHEMBL30673726 0.71 SMN1; SMN2 (0.49) HTR2CHTR2BGPBAR1
SCHEMBL30379486 0.71 LMNA (0.43) HTR2CHTR2BGPBAR1
SCHEMBL26933825 0.71 SMN1; SMN2 (0.49) HTR2CHTR2BGPBAR1

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-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 — — US disclosed
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