SCHEMBL2190767

SCHEMBL2190767

CC(C)c1ccc(S(=O)(=O)NCC2(c3ccccc3)CCN(C(N)=O)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
TACR1 P25103 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.39
SOAT1 P35610 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
P2RX7 Q99572 1/20 0.38
MCHR1 Q99705 1/20 0.37
TPSAB1 Q15661 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
SCHEMBL435661 0.80 KMT2A (0.40) TP53OPRM1OPRL1TACR1KMT2A
SCHEMBL2838092 0.77 OPRM1 (0.44) TP53OPRM1OPRL1SMN1; SMN2SOAT1
SCHEMBL10084139 0.70 SLC6A4 (0.54) OPRM1OPRL1SMN1; SMN2KMT2ALMNA
SCHEMBL9139656 0.70 OPRM1 (0.60) TP53OPRM1OPRL1SMN1; SMN2KMT2A
SCHEMBL9141149 0.70 OPRM1 (0.60) TP53OPRM1OPRL1SMN1; SMN2KMT2A
SCHEMBL8041567 0.65 TACR1 (0.46) OPRM1TACR1SMN1; SMN2KMT2ALMNA
SCHEMBL8333396 0.65 TACR1 (0.54) TACR1OPRD1OPRK1
SCHEMBL18445949 0.65 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ALMNAPOLBMAPT
SCHEMBL26922834 0.65 KMT2A (0.46) KMT2A
SCHEMBL8365979 0.64 ALDH1A1 (0.67) OPRM1TACR1POLBOPRD1OPRK1

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
EP-2341967-A1 INHALER WITH INDEXING LINKED TO MOVEMENT OF COVER AstraZeneca AB (SE) 2011-07-13 EP disclosed