SCHEMBL7977160

SCHEMBL7977160

CCc1nc2c(OCc3ccc(OC)cc3)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
RHEB Q15382 2/20 0.43
ABCB1 P08183 2/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL9527738 0.87 PDE5A (0.51) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL9528101 0.76 RHEB (0.55) NPC1RAB9ASMN1; SMN2RHEBTP53
SCHEMBL7685877 0.76 NPC1 (0.60) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL3968906 0.74 DDAH1 (0.49) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL18304068 0.74 DRD2 (0.51) NPC1RAB9ASMN1; SMN2ABCB1HTR1A
SCHEMBL1101265 0.73 MEN1 (0.71) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL7690181 0.73 RAB9A (0.60) NPC1RAB9ASMN1; SMN2RHEBTP53
SCHEMBL9951369 0.71 MEN1 (0.75) NPC1RAB9ASMN1; SMN2ABCB1HDAC3
SCHEMBL9528482 0.71 MEN1 (0.59) NPC1RAB9ASMN1; SMN2HTR1AALDH1A1
SCHEMBL16018989 0.71 ABCB1 (0.68) NPC1RAB9AABCB1HTR1AADRA1D

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
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed