SCHEMBL11073068

SCHEMBL11073068

CC=CCN(CCC)C1(c2ccc(Cl)cc2)CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.35
KMT2A Q03164 1/20 0.34
OPRM1 P35372 2/20 0.34
POLB P06746 1/20 0.31
DRD2 P14416 1/20 0.30
TACR1 P25103 2/20 0.30
HRH3 Q9Y5N1 1/20 0.30
SLC6A4 P31645 1/20 0.30
LSS P48449 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 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
SCHEMBL11073972 0.89 OPRL1 (0.40) OPRL1KMT2AOPRM1POLBDRD2
SCHEMBL11069769 0.89 OPRL1 (0.34) OPRL1KMT2APOLB
SCHEMBL11080087 0.88 OPRM1 (0.31) KMT2AOPRM1
SCHEMBL11066404 0.85 OPRL1 (0.39) OPRL1KMT2AOPRM1POLBDRD2
SCHEMBL11078182 0.84 SLC6A3 (0.32) OPRL1
SCHEMBL11075757 0.83 OPRL1 (0.43) OPRL1KMT2AOPRM1POLBTACR1
SCHEMBL11069810 0.79 SLC6A4 (0.41) SLC6A4
SCHEMBL11070722 0.77 OPRL1 (0.40) OPRL1KMT2AOPRM1POLB
SCHEMBL11069088 0.77
SCHEMBL11068775 0.76 OPRL1 (0.36) OPRL1KMT2AOPRM1TACR1SLC6A4

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