SCHEMBL11637990

SCHEMBL11637990

NC1CC(Oc2ccccc2)CC1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 1/20 0.45
▸ SLC6A2 P23975 3/20 0.45
▸ SLC6A3 Q01959 3/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ FFAR4 Q5NUL3 11/20 0.41
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ OPRK1 P41145 1/20 0.39
▸ KCNH2 Q12809 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) SLC6A2SLC6A3SLC6A4FFAR4HRH1
SCHEMBL11645611 0.87 FFAR4 (0.44) GABRR1SLC6A2SLC6A3SLC6A4FFAR4
SCHEMBL795203 0.80 SLC6A4 (0.52) SLC6A2SLC6A3SLC6A4FFAR4GRIN1
SCHEMBL26857799 0.76 AKR1C3 (0.51) SLC6A2SLC6A3SLC6A4FFAR4HRH1
SCHEMBL20046785 0.74 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4HRH1KCNH2
SCHEMBL30182887 0.74 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4HRH1KCNH2
SCHEMBL10188580 0.73 FFAR4 (0.52) SLC6A2SLC6A3SLC6A4FFAR4
SCHEMBL27878721 0.73 FFAR4 (0.44) SLC6A2SLC6A3SLC6A4FFAR4
SCHEMBL1749499 0.72 ACSL1 (0.56) SLC6A2SLC6A3SLC6A4HRH1
SCHEMBL5844291 0.69 GABRR1 (0.94) GABRR1

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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