SCHEMBL8362208

SCHEMBL8362208

CCC(=O)[C@]1(O)C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX2 Q96LB1 4/20 0.81
OPRM1 P35372 13/20 0.59
OPRD1 P41143 12/20 0.58
OPRK1 P41145 11/20 0.58
SLC22A1 O15245 1/20 0.58
ADRA2A P08913 1/20 0.58
ARRB1 P49407 1/20 0.58

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
SCHEMBL29449917 0.90 MRGPRX2 (1.00) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL29583693 0.90 MRGPRX2 (1.00) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL154048 0.90 MRGPRX2 (1.00) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
Hydrochloric Acid SCHEMBL27754570 0.89 MRGPRX2 (0.98) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
Methoxymethane SCHEMBL27466715 0.87 MRGPRX2 (0.94) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL10527174 0.86 MRGPRX2 (0.82) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL8356924 0.86 MRGPRX2 (0.79) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL28654569 0.85 MRGPRX2 (0.77) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL7668849 0.83 MRGPRX2 (0.74) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL8393673 0.83 MRGPRX2 (0.68) MRGPRX2OPRM1OPRD1OPRK1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12259385-B2 Sample analysing device INTELLIGENT FINGERPRINTING LIMITED (GB) 2025-03-25 US disclosed
EP-3172566-B1 SAMPLE ANALYSING DEVICE INTELLIGENT FINGERPRINTING LTD (GB) 2019-10-16 EP disclosed
US-20170307605-A1 SAMPLE ANALYSING DEVICE INTELLIGENT FINGERPRINTING LIMITED (GB) 2017-10-26 US disclosed
EP-3172566-A1 SAMPLE ANALYSING DEVICE Intelligent Fingerprinting Limited (GB) 2017-05-31 EP disclosed
WO-2016012812-A1 SAMPLE ANALYSING DEVICE INTELLIGENT FINGERPRINTING LIMITED (GB) 2016-01-28 WO disclosed
US-5908846-A USE WITH A CARRIER TO RELIEVE PAIN; FORMS INCLUDE SOLUTIONS, SUSPENSIONS, OINTMENTS, GELS, SPRAYS AND AEROSOLS PHARMACIA & UPJOHN AB (SE) 1999-06-01 US disclosed
EP-0557385-B1 TOPICAL COMPOSITIONS FOR TRANSDERMAL DELIVERY OF PRODUG DERIVATIVES OF MORPHINE PHARMACIA & UPJOHN AB (SE) 1998-07-22 EP disclosed
EP-0557385-A1 TOPICAL COMPOSITIONS FOR TRANSDERMAL DELIVERY OF PRODUG DERIVATIVES OF MORPHINE Pharmacia AB (reg.number 556131-9608) (SE) 1993-09-01 EP disclosed
WO-1992008459-A1 TOPICAL COMPOSITIONS FOR TRANSDERMAL DELIVERY OF PRODUG DERIVATIVES OF MORPHINE KABI PHARMACIA AB (SE) 1992-05-29 WO disclosed