SCHEMBL9688686

SCHEMBL9688686

CN1CCN(CC2CCc3onc(-c4ccccc4)c3C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
DCTPP1 Q9H773 3/20 0.43
NR4A2 P43354 1/20 0.43
HTR1A P08908 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
USP2 O75604 1/20 0.40
MC4R P32245 1/20 0.40
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SMN1; SMN2 Q16637 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 SCHEMBL9445168 0.99 ACHE (0.43) ACHEDCTPP1NR4A2HTR1ASIGMAR1
SCHEMBL9688292 0.89 METAP1 (0.41) DCTPP1HTR1ASIGMAR1HDAC1HDAC6
SCHEMBL9689848 0.89 NR4A2 (0.41) DCTPP1NR4A2HTR1ASIGMAR1USP2
SCHEMBL9445139 0.88 HDAC1 (0.41) ACHEDCTPP1NR4A2HTR1AHDAC1
SCHEMBL9024259 0.88 ADRA2A (0.43) DCTPP1HTR1ASIGMAR1HDAC1HDAC6
Hydrochloric Acid SCHEMBL9024275 0.88 NR4A2 (0.41) DCTPP1NR4A2HTR1AUSP2ADORA2A
Hydrochloric Acid SCHEMBL9445255 0.87 METAP1 (0.41) DCTPP1HTR1ASIGMAR1HDAC1HDAC6
Hydrochloric Acid SCHEMBL9445252 0.87 METAP1 (0.41) DCTPP1HTR1ASIGMAR1HDAC1HDAC6
SCHEMBL9025330 0.80 DRD2 (0.41) DCTPP1HTR1ASIGMAR1
SCHEMBL9445210 0.80 DCTPP1 (0.39) DCTPP1HTR1AADORA2AADORA1HRH3

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