SCHEMBL9049451

SCHEMBL9049451

O=C(Nc1nc2c(s1)CCC2)C1CCc2nc[nH]c2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.48
RAB9A P51151 11/20 0.48
SMN1; SMN2 Q16637 9/20 0.48
TSHR P16473 3/20 0.43
MAPT P10636 7/20 0.43
LMNA P02545 6/20 0.43
TP53 P04637 6/20 0.42
ALDH1A1 P00352 4/20 0.42
PKM P14618 3/20 0.42
STAT1 P42224 1/20 0.42
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
NFKB1 P19838 4/20 0.41
NFKB2 Q00653 4/20 0.41
RELA Q04206 4/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9050185 0.77 KMT2A (0.52) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
Hydrochloric Acid SCHEMBL9050935 0.74 HTR3A (0.48) MAPTLMNAALDH1A1NPSR1
SCHEMBL8542781 0.72 HTR3A (0.50)
SCHEMBL7328013 0.71 HTR3A (0.41) NPC1RAB9ATSHRMAPK1
SCHEMBL6851022 0.71 ADRA1A (0.53) SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL7325553 0.70 HTR3A (0.47) NPC1RAB9ASMN1; SMN2TSHRLMNA
SCHEMBL7327993 0.70 HTR3A (0.50) SMN1; SMN2LMNATP53ALDH1A1GAA
SCHEMBL6850934 0.70 HTR3A (0.48) SMN1; SMN2ALDH1A1GAA
SCHEMBL9048823 0.70 GSK3A (0.47) NPC1RAB9AALDH1A1PKMHPGD
SCHEMBL7333796 0.70 ADRA1A (0.47) NPC1RAB9ASMN1; SMN2TSHRMAPT

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
EP-0381422-B1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-10-23 EP claimed
US-5344927-A 5-HT3 antagonist YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed
EP-0381422-B1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-10-23 EP disclosed
US-5496942-A 5-HT3-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
US-5344927-A 5-HT3 antagonist YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
EP-0381422-A1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-08-08 EP disclosed