SCHEMBL8559329

SCHEMBL8559329

COC(=O)c1ccc2[nH]cc(CCCCl)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.64
NPC1 O15118 1/20 0.60
HTR1A P08908 3/20 0.52
HTR1D P28221 2/20 0.52
HTR1B P28222 2/20 0.52
KMT2A Q03164 4/20 0.50
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 3/20 0.50
HTR7 P34969 2/20 0.50
CYP1A2 P05177 2/20 0.50
CDK2 P24941 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
HTR2C P28335 1/20 0.50
HTR5A P47898 1/20 0.50
HTR6 P50406 1/20 0.50
GFER P55789 1/20 0.50
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MTNR1A P48039 3/20 0.48

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
SCHEMBL8557448 0.96 GPR84 (0.62) GPR84NPC1HTR1AHTR1DHTR1B
SCHEMBL8806861 0.92 GPR84 (0.67) GPR84NPC1HTR1AHTR1DHTR1B
SCHEMBL4349467 0.88 NPC1 (0.68) GPR84NPC1HTR1AHTR1DHTR1B
SCHEMBL9263244 0.87 GPR84 (0.64) GPR84NPC1HTR1AHTR1DHTR1B
SCHEMBL9096170 0.87 GPR84 (0.64) GPR84NPC1HTR1AHTR1DHTR1B
SCHEMBL10981163 0.86 GPR84 (0.62) GPR84NPC1HTR1AHTR1DHTR1B
SCHEMBL8804872 0.86 NPC1 (0.73) GPR84NPC1KMT2AMEN1CDK2
SCHEMBL12844152 0.85 GPR84 (0.68) GPR84NPC1HTR1AHTR1DHTR1B
SCHEMBL3974212 0.85 NPC1 (0.80) GPR84NPC1HTR1AHTR1DHTR1B
SCHEMBL27427278 0.84 GPR84 (0.67) GPR84NPC1HTR1AHTR1DHTR1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1047385-C 3-indolylpiperidine MERCK PATENT GMBH (DE) 1999-12-15 CN disclosed
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
US-5693655-A 3-indolylpiperidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-02 US disclosed
CN-1114651-A 3-indolylpiperidine MERCK PATENT GMBH (DE) 1996-01-10 CN disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed