SCHEMBL7438581

SCHEMBL7438581

CCCCn1c(=O)c(O)c(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 7/20 0.85
HTR3B O95264 7/20 0.85
HTR3A P46098 7/20 0.85
HTR3D Q70Z44 7/20 0.85
HTR3C Q8WXA8 7/20 0.85
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.51
CNR2 P34972 1/20 0.50
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL7439804 0.92 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7435237 0.89 HTR3A (0.78) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7430595 0.84 HTR3A (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7438029 0.81 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7303669 0.79 HTR3A (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7430501 0.78 HTR3A (0.93) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7302557 0.77 HTR3E (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7432574 0.77 HTR3A (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7435062 0.77 HTR3A (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL7485628 0.76 HTR3A (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C

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-0458636-B1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1995-07-12 EP disclosed
US-5248684-A CERTAIN 2-OXO-QUINOLINE CARBOXYLATES OR CORRESPONDING CARBOXAMIDES USEFUL AS ANTI-EMETICS AND SUPPRESSANTS OF MIGRAINE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-28 US disclosed
EP-0458636-A1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1991-11-27 EP disclosed