SCHEMBL7329052

SCHEMBL7329052

C[CH]N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.63
ALDH1A1 P00352 2/20 0.57
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR7 P34969 1/20 0.56
HTR6 P50406 1/20 0.56
MGLL Q99685 1/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL4509082 0.86 HSD11B1 (0.65) HSD11B1ALDH1A1HTR2AHTR2CHTR7
SCHEMBL28087584 0.85 HTR2A (0.55) HSD11B1ALDH1A1HTR2AMGLL
SCHEMBL3391936 0.82 HSD11B1 (0.69) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL6212608 0.79 HSD11B1 (0.74) HSD11B1ALDH1A1MGLLKDM4EPOLB
SCHEMBL31164032 0.79 HSD11B1 (0.68) HSD11B1ALDH1A1HTR2AHTR2CHTR7
SCHEMBL662115 0.79 HSD11B1 (0.68) HSD11B1ALDH1A1HTR2AHTR2CHTR7
SCHEMBL14016112 0.79 HSD11B1 (0.69) HSD11B1ALDH1A1HTR2AHTR2CHTR7
SCHEMBL27364837 0.79 HSD11B1 (0.63) HSD11B1ALDH1A1MGLLKDM4EPOLB
SCHEMBL11107232 0.78 HTR2A (0.68) HSD11B1ALDH1A1HTR2AHTR2CHTR7
SCHEMBL7408128 0.78 HSD11B1 (0.63) HSD11B1ALDH1A1HTR2AHTR2CHTR7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4032642-A SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-28 US claimed
US-4032642-A SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-28 US disclosed
US-4032642-A SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-28 US disclosed
US-3956296-A ANTIINFLAMMATORY, SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1976-05-11 US disclosed
US-3956296-A ANTIINFLAMMATORY, SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1976-05-11 US disclosed