SCHEMBL7433141

SCHEMBL7433141

CCCn1c(=O)cc(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 17/20 1.00
HTR3E A5X5Y0 15/20 1.00
HTR3B O95264 15/20 1.00
HTR3D Q70Z44 15/20 1.00
HTR3C Q8WXA8 15/20 1.00
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL7438029 0.94 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7430501 0.90 HTR3A (0.93) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7430530 0.86 HTR3A (0.77) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7435767 0.82 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7443204 0.81 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9027144 0.79 HTR3A (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9028063 0.76 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9027450 0.76 HTR3A (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7433224 0.76 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9027434 0.75 HTR3A (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C

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