SCHEMBL10691328

SCHEMBL10691328

C1=CC(Cc2nccn2CCCc2ccccc2)=CCC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MAOA P21397 1/20 0.39
SIGMAR1 Q99720 6/20 0.39
GRIN2B Q13224 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL5069468 0.70 ALDH1A1 (0.59) POLBSIGMAR1
SCHEMBL26842409 0.70 SIGMAR1 (0.46) MAOASIGMAR1
SCHEMBL6030671 0.70 HSP90AA1 (0.44) POLBSIGMAR1
SCHEMBL5298962 0.69 HSD11B1 (0.49) POLB
SCHEMBL5294911 0.69 HSP90AA1 (0.41) POLBSIGMAR1
SCHEMBL5299818 0.69 ALDH1A1 (0.49) POLB
SCHEMBL28748507 0.68 ALDH1A1 (0.56) POLB
SCHEMBL1042114 0.68 PRKD3 (0.42) POLB
SCHEMBL5811783 0.68 TLR8 (0.49) POLB
SCHEMBL10832722 0.68 SIGMAR1 (0.44) POLBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4732989-A INTERMEDIATES FOR BACTERICIDES G. D. SEARLE & CO. (US) 1988-03-22 US disclosed
US-4661602-A ANTIANAEROBIC AGENTS G. D. SEARLE & CO. (US) 1987-04-28 US disclosed