SCHEMBL7319012

SCHEMBL7319012

CC(Cc1ccc(Cl)cc1)NC1CCC(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.52
▸ ACACB O00763 2/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ FPR2 P25090 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ MDM2 Q00987 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35

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
Hydrochloric Acid SCHEMBL1813541 0.86 SLC6A4 (0.64) SLC6A4ACACBSLC6A2SLC6A3LMNA
SCHEMBL7323659 0.73 POLB (0.67) LMNAPOLB
SCHEMBL29586308 0.72 EPHX1 (0.36) SLC6A4
SCHEMBL29022785 0.71 SLC6A4 (0.66) SLC6A4ACACBSLC6A2SIGMAR1
SCHEMBL7321423 0.71 GRIN2B (0.51) LMNAPOLBSIGMAR1
SCHEMBL12404706 0.70 SLC6A4 (0.59) SLC6A4ACACBPOLBSIGMAR1
SCHEMBL7316113 0.68 TAAR1 (0.63) SLC6A4ACACBSLC6A2SLC6A3SIGMAR1
SCHEMBL21286088 0.68 TAAR1 (0.63) SLC6A4ACACBSLC6A2SLC6A3SIGMAR1
SCHEMBL178533 0.68 TAAR1 (0.63) SLC6A4ACACBSLC6A2SLC6A3SIGMAR1
SCHEMBL8275616 0.67 DRD2 (0.39) MDM2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886812-A REGULATING DOPAMINE CONCENTRATION; PARKINSON DISEASE, HYPOTENSIVE AGENT, SCHIZOPHRENIA DR. KARL THOMAE GMBH (DE) 1989-12-12 — — US disclosed
US-4843086-A HYPOTENSIVE AGENTS, SCHIZOPHRENIA, PARKINSON'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1989-06-27 — — US disclosed
US-4731374-A PARKINSON*S DISEASE DR. KARL THOMAE GMBH (DE) 1988-03-15 — — US disclosed
EP-0186087-A1 Tetrahydro-benzothiazoles, their production and their use as intermediates or drugs Dr. Karl Thomae GmbH (DE) 1986-07-02 — — EP disclosed
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