SCHEMBL5234835

SCHEMBL5234835

c1ccc(COCCCc2ccc(N3CCCNCC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.45
▸ HTR3E A5X5Y0 1/20 0.45
▸ HTR3B O95264 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ HTR3D Q70Z44 1/20 0.45
▸ HTR3C Q8WXA8 1/20 0.45
▸ LTA4H P09960 2/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ FAAH O00519 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ CETP P11597 2/20 0.41
▸ ESR1 P03372 1/20 0.40

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
SCHEMBL5230479 0.78 LTA4H (0.57) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL22638141 0.77 KIT (0.57) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL5232683 0.76 CHRNB2 (0.46) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL5237792 0.75 GRM5 (0.50) SIGMAR1HRH3FFAR4HTR1ASLC6A4
SCHEMBL5237023 0.75 CHRNB2 (0.54) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL8303133 0.75 HTR3E (0.47) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL10305090 0.74 ADRB1 (0.46) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL13344705 0.73 ADRB1 (0.53) SIGMAR1HTR3EHTR3BADRB1HTR3A
Hydrochloric Acid SCHEMBL3108154 0.73 ADRB1 (0.45) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL3066756 0.73 ADRB1 (0.83) SIGMAR1HTR3EHTR3BADRB1HTR3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 — — EP disclosed
Send feedback