SCHEMBL7180636

SCHEMBL7180636

OCC[C@@]1(c2ccc(F)c(F)c2)CN(Cc2ccccc2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.43
RORC P51449 4/20 0.40
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
POLB P06746 1/20 0.38
CCR3 P51677 1/20 0.38
DRD4 P21917 1/20 0.37
OPRL1 P41146 1/20 0.35

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
SCHEMBL7174179 1.00 TACR2 (0.43) TACR2RORCKDM4EKMT2AMGLL
Hydrochloric Acid SCHEMBL4802792 0.99 TACR2 (0.42) TACR2RORCKDM4EKMT2AMGLL
Hydrochloric Acid SCHEMBL4800620 0.99 TACR2 (0.42) TACR2RORCKDM4EKMT2AMGLL
SCHEMBL27418051 0.85 SIGMAR1 (0.48) TACR2KDM4EKMT2ASIGMAR1CCR3
SCHEMBL27392003 0.85 USP2 (0.40) TACR2KMT2A
SCHEMBL27390996 0.83 TACR2 (0.45) TACR2RORCMGLLSIGMAR1POLB
SCHEMBL27415048 0.80 SIGMAR1 (0.44) SIGMAR1DRD4OPRL1
SCHEMBL27390993 0.79 SIGMAR1 (0.46) TACR2KDM4EKMT2ASIGMAR1OPRL1
SCHEMBL4800783 0.79 MEN1 (0.47) TACR2RORCKMT2A
SCHEMBL4630131 0.78 HSD11B1 (0.36) TACR2RORCSIGMAR1

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
EP-1200417-B1 METHOD FOR PREPARING 2-(2-ARYLMORPHOLIN-2-YL)ETHANOL DERIVATIVES AND INTERMEDIATES SANOFI SYNTHELABO (FR) 2003-10-22 EP disclosed
EP-1200417-A1 METHOD FOR PREPARING 2-(2-ARYLMORPHOLIN-2-YL)ETHANOL DERIVATIVES AND INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-05-02 EP disclosed
WO-2001004105-A1 METHOD FOR PREPARING 2-(2-ARYLMORPHOLIN-2-YL)ETHANOL DERIVATIVES AND INTERMEDIATES SANOFI-SYNTHELABO (FR) 2001-01-18 WO disclosed