SCHEMBL5226803

SCHEMBL5226803

Cc1nc(-c2ccc(-c3ccc(CC4CCCN4C4CCNC4)cc3)cc2)no1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 3/20 0.40
▸ SPHK2 Q9NRA0 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CHIT1 Q13231 4/20 0.37
▸ CHIA Q9BZP6 4/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ MPO P05164 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ CHI3L1 P36222 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NR1I2 O75469 1/20 0.33
▸ PLK1 P53350 1/20 0.33

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
SCHEMBL28957458 0.75 MAOA (0.49) MAOAMAOBMPOSMYD3CA12
SCHEMBL4237634 0.75 SLC6A2 (0.50) CHI3L1
SCHEMBL3724429 0.75 SLC6A2 (0.50) CHI3L1
SCHEMBL5193918 0.73 HTR3A (0.40) CHIT1CHIAKCNH2CHI3L1
SCHEMBL4166236 0.71 MAPK1 (0.43) KCNH2
SCHEMBL5221700 0.68 SPHK1 (0.66) SPHK1SPHK2KCNH2GPR119ALDH1A1
SCHEMBL5221713 0.68 SPHK1 (0.66) SPHK1SPHK2KCNH2GPR119ALDH1A1
SCHEMBL7070577 0.68 SMN1; SMN2 (0.52) MAOAMAOBKCNH2GPR119ALDH1A1
SCHEMBL4793698 0.68 KCNH2 (0.39) CHIT1CHIAKCNH2CHI3L1
SCHEMBL5225958 0.68 SMN1; SMN2 (0.59) KCNH2GPR119ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771449-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 — — EP claimed
WO-2006011043-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 — — WO claimed
EP-1771449-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 — — EP disclosed
WO-2006011043-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 — — WO disclosed
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