SCHEMBL5742591

SCHEMBL5742591

COc1cccc(C2(C#N)CCN(C3(C#N)CCNCC3)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.66
ADRB1 P08588 1/20 0.42
OPRM1 P35372 2/20 0.40
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
SLC6A9 P48067 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR2C P28335 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL5475204 0.87 KMT2A (0.83) KMT2AOPRM1
SCHEMBL4878379 0.86 KMT2A (0.68) KMT2AADRB1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL3249332 0.85 KMT2A (0.67) KMT2AADRB1OPRM1OPRD1OPRK1
SCHEMBL5473344 0.82 KMT2A (0.61) KMT2AOPRM1ALDH1A1
SCHEMBL5475970 0.82 KMT2A (0.61) KMT2AALDH1A1
SCHEMBL5480849 0.81 OPRM1 (0.60) KMT2AOPRM1OPRL1ALDH1A1
SCHEMBL5742585 0.81 KMT2A (0.65) KMT2AADRB1OPRM1ALDH1A1HTR2C
SCHEMBL11814914 0.80 KMT2A (1.00) KMT2AOPRM1
Hydrochloric Acid SCHEMBL4880648 0.80 KMT2A (0.63) KMT2AADRB1OPRM1ALDH1A1HTR2C
SCHEMBL1007128 0.79 KMT2A (0.78) KMT2AOPRM1OPRD1OPRK1OPRL1

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
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP disclosed