SCHEMBL13985278

SCHEMBL13985278

O=C1NC2=C(CCC=C2)CCN1C1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.33
▸ HTR2B P41595 6/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTR2A P28223 3/20 0.30
▸ ACVRL1 P37023 1/20 0.30
▸ ACVR1 Q04771 1/20 0.30
▸ FPR2 P25090 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
SCHEMBL2851425 0.73 CDA (0.41) HTR2CHTR2BTP53HTR2AACVRL1
SCHEMBL6966920 0.70 TP53 (0.38) HTR2CHTR2BTP53HTR2AFPR2
SCHEMBL13655678 0.70 HTR2C (0.34) HTR2CHTR2BTP53HTR2AACVRL1
SCHEMBL994623 0.67 HTR2C (0.40) HTR2CHTR2BTP53HTR2AACVRL1
SCHEMBL651023 0.67 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL30178303 0.67 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL20707948 0.66 — —
SCHEMBL14498122 0.66 DRD2 (0.42) HTR2CHTR2B
SCHEMBL21966127 0.66 HTR2C (0.43) HTR2CHTR2BTP53HTR2A
SCHEMBL2258692 0.66 HTR2C (0.53) HTR2CHTR2BHTR2A

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-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 — — WO disclosed
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