SCHEMBL27603207

SCHEMBL27603207

O=C(N1CCN(CCO)CC1)n1c(=O)sc2ccc(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALPL P05186 1/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ NPY5R Q15761 4/20 0.40
▸ HTR1A P08908 3/20 0.40
▸ HTR7 P34969 3/20 0.40
▸ MAPT P10636 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MDM2 Q00987 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
Tiaramide SCHEMBL29376518 0.82 NPY5R (0.58) TMEM97NPY5RTSHRNPSR1
Tiaramide SCHEMBL25172 0.82 NPY5R (0.58) TMEM97NPY5RTSHRNPSR1
Tiaramide SCHEMBL29379184 0.81 NPY5R (0.58) TMEM97NPY5RTSHRNPSR1
Tiaramide SCHEMBL181916 0.81 NPY5R (0.58) TMEM97NPY5RTSHRNPSR1
SCHEMBL11308376 0.79 TMEM97 (0.57) TMEM97ALDH1A1HPGDHSD17B10DRD2
SCHEMBL250168 0.77 HSD17B10 (0.42) ALDH1A1HPGDHSD17B10ALPLMAPT
SCHEMBL11440143 0.74 TMEM97 (0.47) TMEM97NPY5RMAPTTSHRMAPK1
SCHEMBL11406400 0.74 NPY5R (0.47) TMEM97ALDH1A1HPGDHSD17B10NPY5R
SCHEMBL10974768 0.73 TMEM97 (0.47) TMEM97ALDH1A1HPGDHSD17B10DRD2
SCHEMBL13696444 0.72 NPY5R (0.61) TMEM97NPY5RTSHRNPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1625411-A Combination of a NSAID and a PDE-4 inhibitor ALTANA PHARMA AG (DE) 2005-06-08 — — CN claimed
CN-100496607-C Combination of a NSAID and a PDE-4 inhibitor ALTANA PHARMA AG (DE) 2009-06-10 — — CN disclosed
CN-1625411-A Combination of a NSAID and a PDE-4 inhibitor ALTANA PHARMA AG (DE) 2005-06-08 — — CN disclosed
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