SCHEMBL1668010

SCHEMBL1668010

O=C(CN1CCN(C(=O)O)CC1)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 11/20 0.65
ORAI1 Q96D31 6/20 0.59
KCNJ6 P48051 1/20 0.45
KCNJ3 P48549 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAD52 P43351 1/20 0.42

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
SCHEMBL6889745 0.89 CRACR2A (0.63) CRACR2AORAI1KCNJ6KCNJ3MEN1
SCHEMBL12672291 0.89 CRACR2A (0.63) CRACR2AORAI1KCNJ6KCNJ3MEN1
SCHEMBL1883793 0.87 CRACR2A (0.63) CRACR2AORAI1KCNJ6KCNJ3
SCHEMBL1879493 0.87 CRACR2A (0.63) CRACR2AORAI1ALDH1A1
SCHEMBL1881560 0.86 CRACR2A (0.55) CRACR2AORAI1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1667955 0.86 CRACR2A (0.62) CRACR2AORAI1KCNJ6KCNJ3
SCHEMBL1879356 0.80 CRACR2A (0.72) CRACR2AORAI1ALDH1A1MAPT
SCHEMBL1671387 0.79 CRACR2A (1.00) CRACR2AORAI1KDM4EALDH1A1MAPT
SCHEMBL1668351 0.76 CRACR2A (0.82) CRACR2AORAI1
SCHEMBL1878326 0.75 CRACR2A (0.80) CRACR2AORAI1GAA

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-2509955-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL Rhizen Pharmaceuticals S.A. (CH) 2012-10-17 EP disclosed
WO-2011042797-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL ICOZEN THERAPEUTICS PVT. LTD. (IN) 2011-04-14 WO disclosed