SCHEMBL11645611

SCHEMBL11645611

NC1CCC(Oc2ccccc2)CC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 13/20 0.44
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ GABRR1 P24046 1/20 0.42
▸ HRH1 P35367 1/20 0.41
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL11644936 0.89 FFAR4 (0.45) FFAR4SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL11637990 0.87 GABRR1 (0.45) FFAR4SLC6A4SLC6A2SLC6A3GABRR1
SCHEMBL26857799 0.83 AKR1C3 (0.51) FFAR4SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL10188580 0.78 FFAR4 (0.52) FFAR4SLC6A4SLC6A2SLC6A3
SCHEMBL1749499 0.76 ACSL1 (0.56) SLC6A4SLC6A2SLC6A3HRH1EPHX2
SCHEMBL15574815 0.74 SLC6A2 (0.52) FFAR4SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL15574817 0.74 SLC6A2 (0.52) FFAR4SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL15574816 0.74 SLC6A2 (0.52) FFAR4SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL795203 0.74 SLC6A4 (0.52) FFAR4SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL3457973 0.73 EPHX2 (0.44) FFAR4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4088780-A ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 — — US disclosed
US-4032655-A PHENYLGUANIDINES USEFUL AS ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-28 — — US disclosed
US-4024176-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 — — US disclosed
US-4021571-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-03 — — US disclosed
US-4005123-A ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 — — US disclosed
US-3993682-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 — — US disclosed
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