SCHEMBL7327561

SCHEMBL7327561

O=C(Nc1ccccc1C(F)(F)F)C1CCc2[nH]cnc2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 4/20 0.45
ALDH1A1 P00352 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HPGD P15428 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7327570 0.91 MAPT (0.46) MAPTMEN1KMT2ACYP1A2POLB
SCHEMBL7325548 0.85 SMN1; SMN2 (0.45) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL7327986 0.83 L3MBTL1 (0.47) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL7324842 0.81 KDM4E (0.43) ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL7326394 0.80 SMN1; SMN2 (0.55) MEN1KMT2ACYP1A2ALDH1A1HPGD
SCHEMBL7328287 0.80 SMN1; SMN2 (0.55) MEN1KMT2ACYP1A2ALDH1A1HPGD
SCHEMBL7326401 0.80 SMN1; SMN2 (0.55) MEN1KMT2ACYP1A2ALDH1A1HPGD
SCHEMBL6851321 0.80 HPGD (0.48) MAPTMEN1KMT2APOLBHPGD
Hydrochloric Acid SCHEMBL7324768 0.80 SMN1; SMN2 (0.54) MEN1KMT2ACYP1A2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7326067 0.80 SMN1; SMN2 (0.54) MEN1KMT2ACYP1A2ALDH1A1HPGD

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-0376624-B1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMA CO LTD (JP) 1994-09-14 EP disclosed
US-4977175-A GASTROINTESTINAL DISORDERS, ANTIEMETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-12-11 US disclosed
EP-0376624-A1 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-07-04 EP disclosed