SCHEMBL22030752

SCHEMBL22030752

CCC(C)N1CC2CC(C1)N2C(=O)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
TSHR P16473 3/20 0.40
CNR1 P21554 1/20 0.40
HSD11B1 P28845 6/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
CCR2 P41597 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
HSD11B2 P80365 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL20154483 0.88 PIK3CD (0.45) RECQLTSHRCNR1MEN1KMT2A
SCHEMBL20148605 0.86 RECQL (0.47) RECQLTSHRCNR1HSD11B1ALDH1A1
SCHEMBL20071310 0.84 RECQL (0.44) RECQLTSHRCNR1HSD11B1ALDH1A1
SCHEMBL20148607 0.81 RECQL (0.44) RECQLTSHRCNR1HSD11B1ALDH1A1
SCHEMBL20071302 0.77 HRH3 (0.40) RECQLTSHRCNR1GAACCR2
SCHEMBL20071305 0.77 RECQL (0.52) RECQLTSHRCNR1HSD11B1MEN1
SCHEMBL20154458 0.76 RECQL (0.36) RECQLTSHRCNR1CCR2CHRNB2
SCHEMBL26203668 0.76 RECQL (0.46) RECQLTSHRCNR1HSD11B1ALDH1A1
SCHEMBL21695514 0.75 RECQL (0.48) RECQLTSHRCNR1HSD11B1ALDH1A1
SCHEMBL22031233 0.75 SMN1; SMN2 (0.42)

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-3523301-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-05-27 EP disclosed