SCHEMBL20707168

SCHEMBL20707168

C=C(C)CCC(Cc1c[nH]c2ccccc12)C(=C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ HTR1D P28221 1/20 0.51
▸ HTR1B P28222 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR1E P28566 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ HTR6 P50406 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ APAF1 O14727 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL28447148 0.78 ALDH1A1 (0.57) HTR2AHTR1AHTR1DHTR1BHTR2C
SCHEMBL19372678 0.77 MAPT (0.67) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL20619402 0.76 ALDH1A1 (0.64) HTR2AHTR1AHTR1DHTR1BHTR2C
SCHEMBL27043147 0.75 ALOX15 (0.56) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL4628084 0.75 MEN1 (0.58) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL7855506 0.72 SMN1; SMN2 (0.74) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL26770319 0.72 MAPT (0.55) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL12104024 0.71 KDM4E (0.76) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL13662877 0.71 KDM4E (0.76) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL10030545 0.71 KDM4E (0.76) HTR2AADRB1HTR1AADRA2ASLC6A2

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-3438091-A1 COMPOUND HAVING ENHANCING ACTIVITY FOR GLUCAGON-LIKE PEPTIDE-1 RECEPTOR ACTIONS AJINOMOTO CO., INC. (JP) 2019-02-06 — — EP disclosed
Send feedback