SCHEMBL8326158

SCHEMBL8326158

CCCCN1CCC(C(C(=O)O)C2=C3OCCOC3=C(N)I=C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 12/20 0.44
HTR2C P28335 4/20 0.40
ADRA2C P18825 3/20 0.40
HTR1D P28221 3/20 0.40
ADRA1A P35348 3/20 0.40
HTR2B P41595 3/20 0.40
ADRA2B P18089 2/20 0.40
ADRA1B P35368 1/20 0.40
HTR3A P46098 3/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
ADRA2A P08913 2/20 0.39
HTR2A P28223 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8319499 0.72 HTR4 (0.61) HTR4HTR2CADRA2CHTR1DADRA1A
Hydrochloric Acid SCHEMBL7400556 0.71 HTR4 (0.60) HTR4HTR2CADRA2CHTR1DADRA1A
SCHEMBL6944812 0.63 KCNH2 (0.55) KCNH2
Bromide SCHEMBL5227181 0.60 GNAI3 (0.44) HTR4ADRA2CHTR1DHTR2BADRA1B
Tert-Butylamine SCHEMBL28089805 0.60 KCNH2 (0.49) LMNAKCNH2
SCHEMBL8397190 0.60 KCNH2 (0.43) HTR4PMP22NPSR1CHRM3KCNH2
Hydrochloric Acid SCHEMBL8394495 0.59 GNAI3 (0.42) HTR4CHRM3KCNH2
SCHEMBL396677 0.59 KCNH2 (0.61) KCNH2
Acetic Acid SCHEMBL4538190 0.59 POLB (0.49) ADRA1AADRA2ADRD3SIGMAR1KCNH2
SCHEMBL5227695 0.59 SMN1; SMN2 (0.67) LMNAKCNH2

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-0604494-B1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-07-28 EP claimed