SCHEMBL7420672

SCHEMBL7420672

CC(CN)c1ccc(C(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)c5ccc(C(C)CN)cc5)CC4)CCC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 14/20 0.49
TPSD1 Q9BZJ3 14/20 0.49
TPSG1 Q9NRR2 14/20 0.49
PRSS1 P07477 7/20 0.49
F2 P00734 6/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLG P00747 3/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
HRH3 Q9Y5N1 2/20 0.43
POLB P06746 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
SCHEMBL7420536 0.80 TPSAB1 (0.74) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL7417450 0.79 ALDH1A1 (0.55) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL18753774 0.71 ALDH1A1 (0.46) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL17696095 0.69 CA12 (0.48) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL19423907 0.69 ALDH1A1 (0.69) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL13144178 0.69 ALDH1A1 (0.64) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL18753805 0.68 TPSAB1 (0.45) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL15228686 0.67 ALDH1A1 (0.45) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL13144177 0.67 HPGD (0.62) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL10495198 0.67 ALDH1A1 (0.89) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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
EP-0782571-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1997-07-09 EP claimed
WO-1996009297-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1996-03-28 WO claimed
US-6022969-A Compositions and methods for treating mast-cell mediated conditions AXYS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed