SCHEMBL7988037

SCHEMBL7988037

N#Cc1cc(N2CCCNCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
ALDH1A1 P00352 7/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
MAPK1 P28482 1/20 0.60
RECQL P46063 1/20 0.59
POLB P06746 1/20 0.55
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
HTT P42858 3/20 0.52
CYP2C9 P11712 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.49
ADRB1 P08588 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
HTR6 P50406 4/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 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
SCHEMBL5236395 0.87 HPGD (0.62) MAPTALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL1114152 0.84 MAPT (0.60) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL5202277 0.81 HPGD (0.74) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL6687266 0.79 MAPT (0.64) MAPTALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL3381806 0.79 SIRT6 (0.64) MAPTALDH1A1MAPK1L3MBTL1SIRT6
SCHEMBL5237456 0.78 MAPT (0.62) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL30307826 0.78 MAPT (0.75) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL28954967 0.78 MAPT (0.75) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL12684722 0.78 MAPT (0.97) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL9073260 0.78 MAPT (0.97) MAPTALDH1A1SMN1; SMN2MAPK1RECQL

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-6333320-B1 USEFUL AS DRUGS, ESPECIALLY AS AN ACTIVATED BLOOD COAGULATION FACTOR X INHIBITOR Yamanouchi Pharmaceutical Co. (JP) 2001-12-25 US disclosed
EP-1000936-A1 NOVEL HEXAHYDRO-1,4-DIAZEPINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-05-17 EP disclosed