SCHEMBL8532302

SCHEMBL8532302

COC(=O)c1ccc2[nH]cc(C(C)c3ccc(C(=O)Cl)cc3OC)c2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
MAPT P10636 1/20 0.40
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
NR4A2 P43354 2/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GUSB P08236 1/20 0.38

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
SCHEMBL8532689 0.94 GPR84 (0.49) GPR84MEN1KMT2ATRPV1MTNR1A
SCHEMBL8533902 0.90 GPR84 (0.46) GPR84MEN1KMT2ATRPV1MTNR1A
SCHEMBL8533040 0.90 GPR84 (0.46) GPR84MEN1KMT2ATRPV1MTNR1A
SCHEMBL3671157 0.87 GPR84 (0.42) GPR84MEN1KMT2ATRPV1MTNR1A
SCHEMBL9372304 0.85 ALDH1A1 (0.42) GPR84MEN1KMT2ATRPV1MTNR1A
SCHEMBL8536466 0.84 CA12 (0.47) TRPV1MTNR1AMTNR1BHTR7GUSB
SCHEMBL3676853 0.83 GABRP (0.46) MEN1KMT2A
SCHEMBL9669643 0.83 KMT2A (0.46) GPR84MEN1KMT2ATRPV1MTNR1A
SCHEMBL8536304 0.83 GPR84 (0.47) GPR84KMT2AMAPTNPC1KDM4E
SCHEMBL9489476 0.82 THRA (0.43) GPR84MEN1KMT2ATRPV1MTNR1A

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
EP-0489547-B1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LTD (GB) 1998-07-29 EP disclosed
US-5334765-A Intermediate for leukotriene antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 US disclosed
US-5286740-A Leukotrine antagonists; antiinflammatory agnets, antiallergens, treating asthma IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed
US-5280125-A Chemical process for the preparation of 3-alkylated indole IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0489547-A1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LIMITED (GB) 1992-06-10 EP disclosed