SCHEMBL9819692

SCHEMBL9819692

O=Cc1cccc(OCCCCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.68
MAOB P27338 8/20 0.68
AKR1B1 P15121 3/20 0.51
PTPN2 P17706 2/20 0.51
PTPN1 P18031 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCNB1 P14635 1/20 0.50
CCND1 P24385 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FFAR1 O14842 1/20 0.49
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47

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
SCHEMBL7283922 0.98 MAOA (0.66) MAOAMAOBAKR1B1PTPN2PTPN1
SCHEMBL13617801 0.95 MAOA (0.69) MAOAMAOBAKR1B1NPC1RAB9A
SCHEMBL465516 0.91 MAOA (0.59) MAOAMAOBAKR1B1PTPN2PTPN1
SCHEMBL30791325 0.91 MAOA (0.71) MAOAMAOBAKR1B1PTPN1NPC1
SCHEMBL923674 0.91 MAOA (0.71) MAOAMAOBAKR1B1PTPN1NPC1
SCHEMBL7285106 0.89 MAOA (0.54) MAOAMAOBAKR1B1PTPN2PTPN1
SCHEMBL30724528 0.87 MAOA (0.64) MAOAMAOBNPC1RAB9ACCNB2
SCHEMBL8716037 0.85 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8374655 0.85 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8374654 0.85 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed