SCHEMBL7333785

SCHEMBL7333785

COc1ccc(NC(=O)C2CCc3[nH]cnc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.47
MMP3 P08254 1/20 0.47
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
LIMK2 P53671 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7333796 0.91 ADRA1A (0.47) MMP8MMP3HTTNPC1RAB9A
SCHEMBL6851321 0.84 HPGD (0.48) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL7011484 0.82 NPC1 (0.50) MMP8MMP3NPC1RAB9ASMN1; SMN2
SCHEMBL9617115 0.82 EPHX2 (0.55) MMP8MMP3NPC1RAB9ASMN1; SMN2
SCHEMBL7326401 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD
SCHEMBL7328287 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD
SCHEMBL7326394 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD
Fumaric Acid SCHEMBL7334141 0.80 HPGD (0.43) NPC1RAB9ASMN1; SMN2LIMK2MEN1
Hydrochloric Acid SCHEMBL7324768 0.79 SMN1; SMN2 (0.54) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD
Hydrochloric Acid SCHEMBL7331894 0.79 SMN1; SMN2 (0.54) SMN1; SMN2MEN1ALDH1A1KMT2AHPGD

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