SCHEMBL14591397

SCHEMBL14591397

O=C(c1ccccc1)N1CCc2cccc(N3CCNCC3)c2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 2/20 0.56
▸ SIGMAR1 Q99720 4/20 0.54
▸ HTR6 P50406 2/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ TMEM97 Q5BJF2 3/20 0.50
▸ HPGD P15428 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ NAMPT P43490 1/20 0.43

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
SCHEMBL14591399 0.84 HTR6 (0.48) CXCR3SIGMAR1HTR6DRD3TMEM97
SCHEMBL14591380 0.84 NOTUM (0.52) CXCR3SIGMAR1HTR6DRD3TMEM97
SCHEMBL14591384 0.81 TMEM97 (0.47) CXCR3SIGMAR1HTR6DRD3TMEM97
SCHEMBL14591400 0.81 TMEM97 (0.55) CXCR3SIGMAR1HTR6DRD3TMEM97
SCHEMBL17114834 0.80 TMEM97 (0.79) CXCR3SIGMAR1TMEM97
SCHEMBL14591391 0.78 KDM4E (0.55) CXCR3SIGMAR1HTR6DRD3TMEM97
SCHEMBL14591322 0.78 PTGDR2 (0.58) CXCR3HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL3157303 0.78 HPGD (0.53) CXCR3DRD3HPGDALDH1A1SMN1; SMN2
SCHEMBL14571502 0.77 CXCR3 (0.55) CXCR3SIGMAR1HTR6DRD3TMEM97
SCHEMBL5690532 0.76 TMEM97 (0.56) CXCR3SIGMAR1TMEM97HPGDALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157463-B2 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-02 — — US disclosed
US-7157463-B2 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-02 — — US disclosed
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