SCHEMBL19956575

SCHEMBL19956575

CCC(C)Cn1cc(C)nn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 1/20 0.31
GPR88 Q9GZN0 1/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL25963597 0.85 DPP4 (0.38) TSHRDPP4GPR88
SCHEMBL12862582 0.82 DPP4 (0.42) DPP4GPR88MAPTPOLB
SCHEMBL17354810 0.78 DPP4 (0.37) DPP4GPR88
SCHEMBL18900639 0.78 DPP4 (0.37) DPP4GPR88
SCHEMBL18377887 0.76 DPP4 (0.44) DPP4GPR88
SCHEMBL24346555 0.75 P2RX7 (0.38) GPR88
SCHEMBL764212 0.74
SCHEMBL15214248 0.74 KDM4E (0.38) LMNADPP4ALDH1A1GPR88
SCHEMBL24864544 0.74 DPP4 (0.35) DPP4GPR88
SCHEMBL20615481 0.74 DPP4 (0.40) TSHRSMN1; SMN2LMNADPP4ALDH1A1

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-3293182-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE Aerpio Therapeutics, Inc. (US) 2018-03-14 EP disclosed