SCHEMBL23064494

SCHEMBL23064494

c1ccc(N2CCCN2)c(C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ HTR2C P28335 8/20 0.40
▸ HTR2B P41595 4/20 0.40
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HCAR1 Q9BXC0 2/20 0.38
▸ ADRB1 P08588 1/20 0.37
▸ ADRA1B P35368 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ CHRNA7 P36544 1/20 0.33

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
SCHEMBL28030092 0.77 ADRB1 (0.58) HTR1ASLC6A2SLC6A4ADRB1ADRA1B
SCHEMBL8291557 0.75 ADRB1 (0.61) HTR1ASLC6A2SLC6A4HPGDADRB1
Hydrochloric Acid SCHEMBL5766987 0.75 ADRB1 (0.56) HTR1AHTR2CHTR2BADRB1ADRA1B
Hydrochloric Acid SCHEMBL7836810 0.74 HTR1A (0.59) HTR1ASLC6A2SLC6A4HTR2CHPGD
SCHEMBL28030551 0.73 MEN1 (0.41) HTR1ASLC6A2SLC6A4KMT2ASMN1; SMN2
SCHEMBL28290840 0.73 HTR6 (0.39) HTR1ASLC6A2SLC6A4ADRB1HTR6
SCHEMBL10873929 0.73 MGLL (0.37) HTR1AHTR2BADRB1HTR6ALOX5
SCHEMBL28030529 0.73 ADRB1 (0.56) HTR1AHPGDKMT2ASMN1; SMN2ADRB1
SCHEMBL31198346 0.72 KEAP1 (0.48) HTR1ASLC6A2SLC6A4KMT2AHCAR1
SCHEMBL23064483 0.72 KEAP1 (0.48) HTR1ASLC6A2SLC6A4KMT2AHCAR1

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-3788042-A1 BCL-2 INHIBITORS BeiGene, Ltd. (KY) 2021-03-10 — — EP disclosed
Send feedback