SCHEMBL21670352

SCHEMBL21670352

CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 2/20 0.49
RHOA P61586 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
MGLL Q99685 1/20 0.49

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
SCHEMBL21669774 1.00 RAB9A (0.52) RAB9AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL21670290 0.93 RAB9A (0.48) RAB9AALDH1A1SMN1; SMN2TSHRRHOA
SCHEMBL21669944 0.93 RAB9A (0.48) RAB9AALDH1A1SMN1; SMN2TSHRRHOA
SCHEMBL21670350 0.91 RAB9A (0.53) RAB9AALDH1A1SMN1; SMN2TSHRRHOA
SCHEMBL21669772 0.91 RAB9A (0.53) RAB9AALDH1A1SMN1; SMN2TSHRRHOA
SCHEMBL21670300 0.90 ALDH1A1 (0.47) RAB9AALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL21669960 0.90 ALDH1A1 (0.47) RAB9AALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL21670403 0.87 RAB9A (0.54) RAB9AALDH1A1SMN1; SMN2TSHRRHOA
SCHEMBL21670294 0.86 EPHX2 (0.64) RAB9AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL21669802 0.86 RAB9A (0.54) RAB9AALDH1A1LMNAGAAMGLL

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
WO-2020028482-A1 SMALL MOLECULES THAT SENSITIZE HIV-1 INFECTED CELLS TO ANTIBODY DEPENDENT CELLULAR CYTOTOXICITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-02-06 WO disclosed