SCHEMBL7439804

SCHEMBL7439804

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 5/20 1.00
HTR3B O95264 5/20 1.00
HTR3A P46098 5/20 1.00
HTR3D Q70Z44 5/20 1.00
HTR3C Q8WXA8 5/20 1.00
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 1/20 0.61
CNR2 P34972 1/20 0.59
NPC1 O15118 1/20 0.58

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
SCHEMBL7438581 0.92 HTR3E (0.85) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7435237 0.87 HTR3A (0.78) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7302557 0.83 HTR3E (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7303669 0.83 HTR3A (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7435062 0.82 HTR3A (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7438029 0.81 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7430349 0.81 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7430501 0.80 HTR3A (0.93) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7429752 0.79 HTR3A (0.96) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL38659022 0.79 TDP1 (0.72) 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