SCHEMBL10468258

SCHEMBL10468258

c1cnc2c(c1)ncn2CCCCc1nnnn1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
P2RY12 Q9H244 1/20 0.42
ALDH1A1 P00352 8/20 0.42
NPSR1 Q6W5P4 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
ABCC4 O15439 1/20 0.42
CACNA1F O60840 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL10469117 0.83 HTR1A (0.45) HTR1ADRD2HTR2APDE3BPDE3A
SCHEMBL10468200 0.80 HTR1A (0.42) HTR1ADRD2HTR2APDE3BPDE3A
SCHEMBL10467832 0.80 ALDH1A1 (0.43) HTR1ADRD2HTR2APDE3BPDE3A
SCHEMBL10467997 0.80 ALDH1A1 (0.42) HTR1ADRD2HTR2APDE3BPDE3A
SCHEMBL10467949 0.72 HRH4 (0.46) HTR1ADRD2HTR2APDE3BPDE3A
SCHEMBL1031402 0.71 ALDH1A1 (0.55) HTR1ADRD2HTR2APDE3BPDE3A
SCHEMBL9219349 0.71 HTR1A (0.42) HTR1ADRD2HTR2APDE3BPDE3A
SCHEMBL9209880 0.70 HTR1A (0.41) HTR1ADRD2HTR2APDE3BPDE3A
SCHEMBL7318244 0.70 ALDH1A1 (0.56) HTR1ADRD2HTR2APDE3BPDE3A
SCHEMBL14506177 0.69 ALDH1A1 (0.55) HTR1ADRD2HTR2APDE3BPDE3A

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-4804658-A PLATELET-ACTIVATING FACTOR ANTAGONISTS G. D. SEARLE & CO. (US) 1989-02-14 US claimed
EP-0260613-A2 Imidazopyridine derivatives, their preparation and their use as PAF-antagonists G.D. Searle & Co. (US) 1988-03-23 EP claimed
US-4962106-A Treating platelet activating factor mediated disorders G. D. SEARLE & CO. (US) 1990-10-09 US disclosed
US-4804658-A PLATELET-ACTIVATING FACTOR ANTAGONISTS G. D. SEARLE & CO. (US) 1989-02-14 US disclosed
EP-0260613-A2 Imidazopyridine derivatives, their preparation and their use as PAF-antagonists G.D. Searle & Co. (US) 1988-03-23 EP disclosed