SCHEMBL9730365

SCHEMBL9730365

O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(Cc3ccccc3)=NCc3ccc(F)cc3)CC12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
CXCR3 P49682 1/20 0.38
PKM P14618 1/20 0.33
ALOX12 P18054 1/20 0.33
NPC1L1 Q9UHC9 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
ADRB2 P07550 1/20 0.32
APLNR P35414 1/20 0.32
GLP1R P43220 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
POLB P06746 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL9730197 0.94 TACR1 (0.53) TACR1MAPTMEN1CYP3A4TSHR
SCHEMBL9730461 0.91 TSHR (0.47) TACR1MAPTMEN1CYP3A4TSHR
SCHEMBL9730899 0.88 TACR1 (0.55) TACR1MAPTMEN1CYP3A4TSHR
SCHEMBL9729942 0.88 TACR1 (0.49) TACR1MAPTMEN1CYP3A4TSHR
SCHEMBL9729441 0.88 TACR1 (0.52) TACR1MAPTMEN1CYP3A4TSHR
SCHEMBL9730495 0.85 TACR1 (0.55) TACR1MAPTMEN1CYP3A4TSHR
SCHEMBL9729715 0.85 MEN1 (0.47) TACR1MAPTMEN1CYP3A4TSHR
SCHEMBL9729691 0.84 TACR1 (0.53) TACR1MAPTMEN1CYP3A4TSHR
SCHEMBL9730151 0.84 TACR1 (0.52) TACR1MAPTMEN1CYP3A4TSHR
SCHEMBL9730103 0.84 MAPT (0.56) TACR1MAPTMEN1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed