SCHEMBL10109815

SCHEMBL10109815

CCn1ccc2cc(CN)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
PLG P00747 2/20 0.42
PLAU P00749 2/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
HTR2C P28335 5/20 0.41
HTR2A P28223 4/20 0.41

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
SCHEMBL12257510 0.85 RORC (0.45) RORCPLGPLAUTUBB4ATUBB
SCHEMBL6962451 0.82 RORC (0.46) RORCPLGPLAUTUBB4ATUBB
SCHEMBL6962453 0.82 RORC (0.46) RORCPLGPLAUTUBB4ATUBB
SCHEMBL19553339 0.81 HTR2C (0.53) PLGPLAUHTR2CHTR2A
SCHEMBL16219087 0.81 PLG (0.43) PLGPLAUHTR2CHTR2A
SCHEMBL24669590 0.79 PLG (0.45) PLGPLAUHTR2CHTR2A
SCHEMBL31735936 0.79 GLO1 (0.46) PLGPLAUHTR2CHTR2AMTNR1A
SCHEMBL218056 0.78 PRKCI (0.58) PLAUTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31265088 0.78 PRKCI (0.58) PLAUTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL110146 0.78 PRKCI (0.58) CYP19A1FAAHCYP2A6

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-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 EP disclosed