SCHEMBL8111164

SCHEMBL8111164

CN(c1nc2ccccc2s1)C1CC[N]CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.50
EBP Q15125 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
CASP3 P42574 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL5224391 0.84 KMT2A (0.55) CXCR3EBPSIGMAR1NPC1RAB9A
Hydrochloric Acid SCHEMBL6030424 0.83 KMT2A (0.54) CXCR3EBPSIGMAR1NPC1RAB9A
Bromide SCHEMBL8915312 0.83 KMT2A (0.54) CXCR3EBPSIGMAR1NPC1RAB9A
SCHEMBL5244816 0.83 EBP (0.58) CXCR3EBPSIGMAR1NPC1RAB9A
Bromide SCHEMBL9774783 0.82 KMT2A (0.52) CXCR3EBPSIGMAR1NPC1RAB9A
SCHEMBL9774969 0.79 CXCR3 (0.47) CXCR3EBPSIGMAR1NPC1RAB9A
SCHEMBL8274718 0.79 KMT2A (0.49) CXCR3EBPSIGMAR1NPC1RAB9A
SCHEMBL5247026 0.78 EBP (0.62) CXCR3EBPSIGMAR1NPC1RAB9A
SCHEMBL9774792 0.77 EBP (0.45) CXCR3EBPSIGMAR1NPC1RAB9A
SCHEMBL31194842 0.76 KCNH2 (0.54) CXCR3EBPSIGMAR1NPC1RAB9A

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
EP-0705816-B1 BENZENE DERIVATIVE USEFUL FOR ISCHEMIC DISEASES CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-09-20 EP claimed
US-5998452-A CARDIOVASCULAR DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-12-07 US claimed
EP-0705816-A1 BENZENE DERIVATIVE USEFUL FOR ISCHEMIC DISEASES Chugai Seiyaku Kabushiki Kaisha (JP) 1996-04-10 EP claimed