SCHEMBL11072243

SCHEMBL11072243

CCCN(c1cc(C)cc(C)c1)C1CCC(c2ccc(OCC)cc2)(N(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.33
OPRM1 P35372 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHKA P35790 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
NQO1 P15559 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CRHR1 P34998 1/20 0.30
KMT2A Q03164 2/20 0.30
TET3 O43151 1/20 0.30
FBXL19 Q6PCT2 1/20 0.30
CXXC5 Q7LFL8 1/20 0.30
TET1 Q8NFU7 1/20 0.30

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
SCHEMBL11073199 0.90 OPRM1 (0.45) OPRL1OPRM1CRHR1
SCHEMBL11077431 0.85 OPRM1 (0.36) OPRL1OPRM1
SCHEMBL11073495 0.79 PGR (0.33)
SCHEMBL11076219 0.79 L3MBTL1 (0.36) ALDH1A1POLBCRHR1KMT2AMAPT
SCHEMBL11069896 0.78 OPRM1 (0.43) OPRL1OPRM1KMT2AMEN1
SCHEMBL11074662 0.78 SLC6A4 (0.32)
SCHEMBL11077880 0.78 OPRM1 (0.39) OPRL1OPRM1KMT2AMEN1
SCHEMBL11078604 0.76 SLC6A4 (0.32)
SCHEMBL11075816 0.76 HTR2A (0.31) OPRL1OPRM1
SCHEMBL11076438 0.76 SLC6A4 (0.43) OPRL1OPRM1KDM4EALDH1A1SMN1; SMN2

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