SCHEMBL9689848

SCHEMBL9689848

CN1CCN(CCCC2CCc3onc(-c4ccccc4)c3C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
CXCR1 P25024 1/20 0.38
USP2 O75604 1/20 0.38
BRD4 O60885 1/20 0.38
HTR2C P28335 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
Hydrochloric Acid SCHEMBL9024275 0.99 NR4A2 (0.41) NR4A2DCTPP1HTR1ADRD2HTR2A
SCHEMBL9445210 0.92 DCTPP1 (0.39) DCTPP1HTR1ADRD2HTR2ABRD4
SCHEMBL9023761 0.91 MAPK10 (0.40) DCTPP1DRD2ADORA2AADORA1
SCHEMBL9445162 0.90 DCTPP1 (0.41) DCTPP1USP2BRD4KDM4EALDH1A1
SCHEMBL9688686 0.89 ACHE (0.44) NR4A2DCTPP1HTR1AUSP2SMN1; SMN2
Hydrochloric Acid SCHEMBL9445168 0.88 ACHE (0.43) NR4A2DCTPP1HTR1AUSP2SMN1; SMN2
SCHEMBL9687660 0.86 HTR2C (0.56) HTR1ADRD2HTR2AHTR2CSIGMAR1
Hydrochloric Acid SCHEMBL9023938 0.86 HTR2C (0.56) HTR1ADRD2HTR2AHTR2CSIGMAR1
SCHEMBL9025330 0.84 DRD2 (0.41) DCTPP1HTR1ADRD2HTR2ABRD4
SCHEMBL9025209 0.84 DRD2 (0.43) HTR1ADRD2HTR2AHTR2CSIGMAR1

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-5114936-A Antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-19 US claimed