SCHEMBL9595758

SCHEMBL9595758

O=C(Cl)N1CC(Oc2ccc(Br)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
ACACB O00763 3/20 0.39
CCR5 P51681 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CHRNA7 P36544 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
RIPK1 Q13546 1/20 0.37
SCD O00767 1/20 0.37

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
SCHEMBL10610746 0.88 ALDH1A1 (0.44) EPHX2CCR5CHRNA7POLB
SCHEMBL4186680 0.85 POLB (0.41) EPHX2ACACBCCR5KDM4ECHRNA7
SCHEMBL9450741 0.85 EPHX2 (0.49) EPHX2ACACB
SCHEMBL10609014 0.84 CCR5 (0.48) EPHX2CCR5POLB
SCHEMBL9597256 0.83 GRIN1 (0.47) EPHX2
SCHEMBL9597771 0.83 PARP10 (0.42) EPHX2ACACBCCR5CHRNA7POLB
SCHEMBL15301072 0.83 ALDH1A1 (0.50) EPHX2ACACBCCR5
SCHEMBL9477316 0.83 SCD (0.51) EPHX2RIPK1SCD
SCHEMBL9596749 0.81 SLC6A2 (0.51) EPHX2KDM4ESMN1; SMN2POLBRIPK1
SCHEMBL27037359 0.81 NAMPT (0.46) EPHX2ACACBCCR5KDM4ECHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5183902-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1993-02-02 US disclosed
US-5151418-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1992-09-29 US disclosed
US-5068231-A Ureas and thioureas for relaxing muscles A. H. ROBINS COMPANY INCORPORATED (US) 1991-11-26 US disclosed
US-4956359-A CARBOXAMIDES OR THIOCARBOXAMIDES OF ARYL OXY OR THIO AZETIDINES A. H. ROBINS COMPANY, INC. (US) 1990-09-11 US disclosed