SCHEMBL11072865

SCHEMBL11072865

C=CCN(C)C1CCC(c2ccc(Cl)cc2)(N(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 10/20 0.38
▸ SLC6A4 P31645 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ OPRM1 P35372 9/20 0.35
▸ OPRK1 P41145 2/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ UTS2R Q9UKP6 1/20 0.34
▸ LSS P48449 1/20 0.34

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 SCHEMBL11066709 0.97 OPRL1 (0.36) OPRL1SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL11072605 0.80 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2OPRK1SIGMAR1
SCHEMBL11075507 0.75 HTR1D (0.39) SLC6A4SLC6A3SLC6A2UTS2RLSS
SCHEMBL11067219 0.75 HTR1D (0.38) SLC6A4SLC6A3UTS2R
SCHEMBL11075649 0.74 SLC6A3 (0.50) OPRL1SLC6A4SLC6A3SLC6A2OPRK1
SCHEMBL11073938 0.74 GRIN2B (0.37) OPRL1OPRM1OPRK1OPRD1UTS2R
SCHEMBL11070194 0.74 HTR1D (0.37) SLC6A4SLC6A3UTS2R
SCHEMBL11076078 0.73 SLC6A4 (0.49) OPRL1SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL11076146 0.73 HTR1D (0.36) OPRL1OPRM1UTS2R
SCHEMBL11244959 0.72 SLC6A3 (0.47) OPRL1SLC6A4SLC6A3SLC6A2OPRM1

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
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 — — US claimed
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
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