SCHEMBL8073783

SCHEMBL8073783

OCC(c1ccccc1)N1CC=CCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.55
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
SLC6A3 Q01959 1/20 0.39
MAOA P21397 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 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
SCHEMBL8073787 1.00 OPRL1 (0.55) OPRL1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL6983607 0.88 OPRL1 (0.58) OPRL1MEN1KMT2AOPRM1OPRD1
SCHEMBL6983605 0.88 OPRL1 (0.58) OPRL1MEN1KMT2AOPRM1OPRD1
SCHEMBL9366136 0.82 SLC6A4 (0.62) OPRL1SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL8507420 0.77 OPRL1 (0.63) OPRL1SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL3583059 0.77 OPRL1 (0.63) OPRL1SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL1205831 0.77 OPRL1 (0.63) OPRL1SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL14035499 0.76 SLC6A4 (0.68) OPRL1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL5139722 0.76 SLC6A4 (0.68) OPRL1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL13039159 0.75 CYP1A2 (0.66) OPRL1MEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789021-B1 Hydroxamic acid compounds as opioid kappa receptor agonists PFIZER (US) 2000-10-11 EP disclosed
US-5837717-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTITUSSIVE AGENTS, DIURETICS, NEUROPROTECTIVE AGENTS; TREATING BOWEL DISEASE SUCH AS ABDOMINAL PAIN PFIZER INC. (US) 1998-11-17 US disclosed
EP-0789021-A1 Hydroxamic acid compounds as opioid kappa receptor agonists PFIZER INC. (US) 1997-08-13 EP disclosed