SCHEMBL8320637

SCHEMBL8320637

c1ccc(N2CCN(Cc3ccc4ncccc4c3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.64
DRD4 P21917 6/20 0.55
DRD3 P35462 3/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
ADRA1D P25100 1/20 0.53
HTR2A P28223 1/20 0.53
ADRA1A P35348 1/20 0.53
HRH1 P35367 1/20 0.53
ADRA1B P35368 1/20 0.53
KCNH2 Q12809 1/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
DRD2 P14416 4/20 0.53
KMT2A Q03164 1/20 0.51

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
SCHEMBL8320213 0.84 FAAH (0.60) DRD4DRD3DRD2
SCHEMBL27317684 0.83 CHKA (0.78) CHKAKCNH2SMN1; SMN2KMT2AMET
SCHEMBL31428708 0.82 CHKA (0.64) CHKASMN1; SMN2METTSHR
SCHEMBL13499600 0.82 CHKA (0.90) CHKAADRA2AADRA2BADRA2CKCNH2
SCHEMBL11830305 0.82 KMT2A (0.76) CHKADRD4DRD3DRD2KMT2A
SCHEMBL14604923 0.80 CHKA (0.64) CHKASMN1; SMN2METGNRHRSIGMAR1
SCHEMBL10482671 0.79 DRD4 (0.55) DRD4DRD3HTR1AALDH1A1SMN1; SMN2
SCHEMBL31429049 0.77 CHKA (0.65) CHKAKCNH2LMNASMN1; SMN2KMT2A
SCHEMBL9590379 0.77 CHKA (0.62) CHKAADRA2AADRA2BADRA2CKCNH2
SCHEMBL9826322 0.77 DRD3 (0.76) DRD3HTR1AADRA2AADRA2BADRA2C

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
US-5945421-A TREATING PSYCHOSIS AND SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 1999-08-31 US disclosed