SCHEMBL9055650

SCHEMBL9055650

CN[C@H]1CN(Cc2ccccc2)C[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.65
GBA1 P04062 2/20 0.55
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
SLC18A3 Q16572 1/20 0.44
ACHE P22303 1/20 0.44
KDM1A O60341 1/20 0.43

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
SCHEMBL9057711 1.00 FUCA1 (0.65) FUCA1GBA1ALDH1A1MAPTS1PR1
SCHEMBL9057716 1.00 FUCA1 (0.65) FUCA1GBA1ALDH1A1MAPTS1PR1
SCHEMBL2193590 0.86 FUCA1 (0.55) FUCA1GBA1ALDH1A1SLC18A3ACHE
SCHEMBL15555624 0.86 ALDH1A1 (0.54) FUCA1GBA1ALDH1A1SLC18A3ACHE
SCHEMBL2193594 0.86 FUCA1 (0.55) FUCA1GBA1ALDH1A1SLC18A3ACHE
SCHEMBL2193586 0.86 FUCA1 (0.55) FUCA1GBA1ALDH1A1SLC18A3ACHE
SCHEMBL2790128 0.83 FUCA1 (0.63) FUCA1GBA1ALDH1A1MAPTSIGMAR1
SCHEMBL13229618 0.83 FUCA1 (0.63) FUCA1GBA1ALDH1A1MAPTSIGMAR1
SCHEMBL13229622 0.83 FUCA1 (0.63) FUCA1GBA1ACHE
SCHEMBL2793316 0.83 FUCA1 (0.63) FUCA1GBA1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996001262-A1 NOVEL QUINOLINE COMPOUND AND PROCESS FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1996-01-18 WO disclosed
EP-0571400-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO.,LTD. (KR) 1993-12-01 EP disclosed
WO-1992012155-A1 NOVEL QUINOLONE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1992-07-23 WO disclosed