SCHEMBL8985153

SCHEMBL8985153

COc1ccccc1NC(=O)C1CCn2ccnc2C1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
ACHE P22303 1/20 0.55
BACE1 P56817 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.52
MGLL Q99685 1/20 0.50
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALOX15 P16050 1/20 0.48
ADRA1A P35348 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
MAPK1 P28482 1/20 0.46

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
Fumaric Acid SCHEMBL9570749 0.94 KDM4E (0.57) KDM4EACHEBACE1SMN1; SMN2KMT2A
Fumaric Acid SCHEMBL8985248 0.94 KDM4E (0.57) KDM4EACHEBACE1SMN1; SMN2KMT2A
SCHEMBL8985169 0.83 KDM4E (0.57) KDM4EACHEBACE1SMN1; SMN2KMT2A
SCHEMBL8985443 0.80 KDM4E (0.59) KDM4EACHEBACE1SMN1; SMN2KMT2A
SCHEMBL24493549 0.76 KDM4E (0.47) KDM4ESMN1; SMN2KMT2ALMNATSHR
SCHEMBL27339399 0.75 SMN1; SMN2 (0.85) KDM4EACHEBACE1SMN1; SMN2KMT2A
SCHEMBL14503304 0.72 SMN1; SMN2 (1.00) KDM4EACHEBACE1SMN1; SMN2KMT2A
SCHEMBL28685992 0.70 ACHE (0.65) KDM4EACHEBACE1SMN1; SMN2KMT2A
SCHEMBL28685994 0.70 ACHE (0.65) KDM4EACHEBACE1SMN1; SMN2KMT2A
SCHEMBL30915761 0.70 KDM4E (0.46) KDM4ELMNANPSR1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547961-A USING TETRAHYDROIMIDAZOPYRIDINE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-08-20 US claimed
US-5336679-A Treatment of irritable bowel syndrome YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-08-09 US claimed
EP-0532754-A1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-24 EP claimed
US-5547961-A USING TETRAHYDROIMIDAZOPYRIDINE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-08-20 US disclosed
US-5336679-A Treatment of irritable bowel syndrome YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-08-09 US disclosed
EP-0532754-A1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-24 EP disclosed