SCHEMBL8985169

SCHEMBL8985169

COc1ccccc1NC(=O)C1CCc2nccn2C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.51
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 2/20 0.47
ADRA1A P35348 1/20 0.46
MEN1 O00255 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
MGLL Q99685 1/20 0.45

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
SCHEMBL8985153 0.83 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1ACHEBACE1
SCHEMBL8985207 0.78 SMN1; SMN2 (0.55) KDM4ESMN1; SMN2ALDH1A1ACHEBACE1
Fumaric Acid SCHEMBL9570749 0.78 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1ACHEBACE1
Fumaric Acid SCHEMBL8985248 0.78 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1ACHEBACE1
SCHEMBL27339399 0.75 SMN1; SMN2 (0.85) KDM4ESMN1; SMN2ALDH1A1ACHEBACE1
SCHEMBL14503304 0.72 SMN1; SMN2 (1.00) KDM4ESMN1; SMN2ALDH1A1ACHEBACE1
SCHEMBL8985281 0.71 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1ACHEBACE1
SCHEMBL8985233 0.70 ADRA1A (0.53) KDM4EADRA1A
SCHEMBL8132848 0.70 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2ALDH1A1ACHEBACE1
SCHEMBL29361009 0.70 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2ALDH1A1ACHEBACE1

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 4 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-5336679-A Treatment of irritable bowel syndrome YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-08-09 US disclosed