SCHEMBL7830266

SCHEMBL7830266

O=C1CC2CCCC(C1)C(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.61
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MT-CO2 P00403 1/20 0.51
▸ ALOX5 P09917 1/20 0.51
▸ TSHR P16473 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ STAT6 P42226 1/20 0.50
▸ F2 P00734 1/20 0.47
▸ PLG P00747 1/20 0.47
▸ ELANE P08246 1/20 0.47
▸ CTSG P08311 1/20 0.47
▸ CMA1 P23946 1/20 0.47
▸ CTRC Q99895 1/20 0.47

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
SCHEMBL7830218 0.88 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2MT-CO2
SCHEMBL7829113 0.80 ALDH1A1 (0.93) ALDH1A1MEN1KMT2ASMN1; SMN2MT-CO2
SCHEMBL3716740 0.80 ALDH1A1 (0.93) ALDH1A1MEN1KMT2ASMN1; SMN2MT-CO2
SCHEMBL3236740 0.80 ALDH1A1 (0.69) ALDH1A1MEN1KMT2ASMN1; SMN2MT-CO2
SCHEMBL1021890 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2MT-CO2
SCHEMBL8383160 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ASMN1; SMN2MT-CO2
SCHEMBL8383162 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ASMN1; SMN2MT-CO2
SCHEMBL1449456 0.74 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ASMN1; SMN2MT-CO2
SCHEMBL22426223 0.73 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2MT-CO2
SCHEMBL911191 0.73 KMT2A (0.51) ALDH1A1KMT2AUSP2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777653-B1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER (US) 2001-08-22 — — EP disclosed
EP-0777653-A1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1997-06-11 — — EP disclosed
WO-1996006083-A1 2-(PIPERAZINYL-1-CARBONYLMETHYL)-1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1996-02-29 — — WO disclosed
WO-1996006082-A1 DIHYDROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1996-02-29 — — WO disclosed
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