SCHEMBL9054403

SCHEMBL9054403

CN1C2CN(Cc3ccccc3)CC21

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.58
MC4R P32245 1/20 0.57
SIGMAR1 Q99720 1/20 0.56
ACHE P22303 1/20 0.53
CCR3 P51677 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR5 Q9H228 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GBA1 P04062 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
SCHEMBL18426835 0.84 FUCA1 (0.55) FUCA1MC4RSIGMAR1ACHE
SCHEMBL20454498 0.84 FUCA1 (0.55) FUCA1MC4RSIGMAR1ACHE
SCHEMBL1022483 0.82 OPRM1 (0.54) FUCA1MC4RSIGMAR1ACHE
SCHEMBL18713027 0.82 FUCA1 (0.53) FUCA1MC4RSIGMAR1ACHES1PR1
SCHEMBL3999094 0.82 FUCA1 (0.56) FUCA1SIGMAR1ACHECCR3S1PR1
SCHEMBL20901984 0.81 FUCA1 (0.60) FUCA1MC4RSIGMAR1ACHES1PR1
SCHEMBL6104773 0.81 FUCA1 (0.60) FUCA1MC4RSIGMAR1ACHES1PR1
SCHEMBL10041956 0.81 FUCA1 (0.60) FUCA1MC4RSIGMAR1ACHES1PR1
SCHEMBL16080228 0.81 FUCA1 (0.60) FUCA1MC4RSIGMAR1ACHES1PR1
SCHEMBL2621402 0.81 FUCA1 (0.60) FUCA1MC4RSIGMAR1ACHES1PR1

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