SCHEMBL7325548

SCHEMBL7325548

O=C(Nc1ccccc1F)C1CCc2[nH]cnc2C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
NPC1 O15118 3/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 2/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL7325553 0.91 HTR3A (0.47) SMN1; SMN2TSHRKMT2AMEN1ALDH1A1
SCHEMBL7327986 0.86 L3MBTL1 (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7327561 0.85 MAPT (0.46) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL7324842 0.84 KDM4E (0.43) ALDH1A1L3MBTL1LMNARXFP1
SCHEMBL7326394 0.83 SMN1; SMN2 (0.55) SMN1; SMN2TSHRKMT2AMEN1ALDH1A1
SCHEMBL7326401 0.83 SMN1; SMN2 (0.55) SMN1; SMN2TSHRKMT2AMEN1ALDH1A1
SCHEMBL7328287 0.83 SMN1; SMN2 (0.55) SMN1; SMN2TSHRKMT2AMEN1ALDH1A1
SCHEMBL6851321 0.83 HPGD (0.48) SMN1; SMN2KMT2AMEN1LMNADDB1
Hydrochloric Acid SCHEMBL7324768 0.82 SMN1; SMN2 (0.54) SMN1; SMN2TSHRKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7331894 0.82 SMN1; SMN2 (0.54) SMN1; SMN2TSHRKMT2AMEN1ALDH1A1

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