SCHEMBL27757481

SCHEMBL27757481

CN1CCN(n2c(C(=O)OCc3ccccc3)cc3ccccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.47
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ SIGMAR1 Q99720 6/20 0.43
▸ TMEM97 Q5BJF2 5/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR1E P28566 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ KMT2A Q03164 2/20 0.41

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
SCHEMBL22258127 0.80 MCL1 (0.60) SRCF2F10KMT2ANOD2
SCHEMBL7682421 0.74 MTNR1A (0.51) SRCF2F10KMT2ANOD2
SCHEMBL25893347 0.74 KMT2A (0.48) SRCF2F10KMT2ANOD2
SCHEMBL25893621 0.73 F10 (0.57) SRCF2F10KMT2ANOD2
SCHEMBL16366533 0.72 SRD5A2 (0.49) F2F10KMT2AMCL1SLC6A2
SCHEMBL7682048 0.71 KMT2A (0.57) SRCF2F10KMT2ANOD2
SCHEMBL7688465 0.71 CNR2 (0.52) SRCF2F10KMT2ANOD2
SCHEMBL7682416 0.71 F10 (0.44) SRCF2F10KMT2ANOD2
SCHEMBL29020301 0.70 SRD5A2 (0.47) F2F10KMT2AMCL1SLC6A2
SCHEMBL3298363 0.70 F10 (0.48) SRCF2F10SIGMAR1TMEM97

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
CN-101535253-A Indole and benzofuran 2-carboxamide derivatives INDOLE AND BENZOFURAN 2 CARBOX (CH) 2009-09-16 — — CN disclosed
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