SCHEMBL7328277

SCHEMBL7328277

O=C(Nc1ccccc1)N1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.57
NPY2R P49146 4/20 0.57
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KMT2A Q03164 2/20 0.54
FAAH O00519 2/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 2/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL15920160 0.91 HTT (0.66) NPY2RHTTRECQLNPSR1KMT2A
SCHEMBL21382028 0.83 ALDH1A1 (0.63) GLANPY2RHTTRECQLNPSR1
SCHEMBL22773254 0.83 ALDH1A1 (0.63) GLANPY2RHTTRECQLNPSR1
SCHEMBL15919999 0.82 FAAH (0.61) NPY2RHTTRECQLNPSR1KMT2A
SCHEMBL22558771 0.81 ALDH1A1 (0.56) GLANPY2RKMT2AALDH1A1KDM4E
SCHEMBL9872975 0.81 ALDH1A1 (0.60) NPY2RKMT2AALDH1A1KDM4E
SCHEMBL9874072 0.80 RECQL (0.66) HTTRECQLNPSR1KMT2AALDH1A1
SCHEMBL15919889 0.80 NPY2R (0.80) NPY2RKMT2ASMN1; SMN2
SCHEMBL15919994 0.80 NAMPT (0.55) NPY2RHTTRECQLNPSR1KMT2A
SCHEMBL15919993 0.80 NPY2R (0.76) NPY2RKMT2ASMN1; SMN2

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