SCHEMBL11072181

SCHEMBL11072181

CCCC1CCN(C2CCC(c3ccc(OCC)cc3)(N(C)C)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.43
RECQL P46063 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
KMT2A Q03164 2/20 0.33
OPRM1 P35372 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
NLRP3 Q96P20 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KDM2B Q8NHM5 4/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL11079377 0.90 OPRL1 (0.45) OPRL1OPRM1KDM2B
SCHEMBL11070148 0.86 OPRL1 (0.49) OPRL1MMP1MMP2MMP9MMP13
SCHEMBL11069281 0.86 OPRL1 (0.46) OPRL1OPRM1OPRK1
SCHEMBL11073750 0.80 OPRL1 (0.50) OPRL1MMP1MMP2MMP9MMP13
SCHEMBL11069606 0.78 OPRL1 (0.40) OPRL1OPRM1OPRK1
SCHEMBL11071725 0.78 OPRL1 (0.37) OPRL1OPRM1KDM2BOPRK1
SCHEMBL11071160 0.77 SLC6A3 (0.38) OPRL1KMT2AOPRM1OPRK1
SCHEMBL11070189 0.77 OPRL1 (0.43) OPRL1KMT2AOPRM1KDM2BOPRK1
SCHEMBL11078360 0.77 OPRL1 (0.37) OPRL1KMT2AOPRM1OPRK1
SCHEMBL11074165 0.77 OPRL1 (0.44) OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed