SCHEMBL9729555

SCHEMBL9729555

O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(Cc3ccccc3)=NCCCc3ccccc3)CC12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR3A P46098 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
OPRM1 P35372 1/20 0.31
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30
TPSG1 Q9NRR2 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL9730151 0.94 TACR1 (0.52) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9729350 0.89 TACR1 (0.53) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9730197 0.88 TACR1 (0.53) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9730495 0.87 TACR1 (0.55) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9730180 0.85 TACR1 (0.46) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9729223 0.85 TACR1 (0.56) TACR1MEN1CYP3A4MAPTTSHR
Iodide SCHEMBL9729835 0.83 TACR1 (0.52) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9730365 0.83 TACR1 (0.51) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9730371 0.82 TACR1 (0.54) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9729441 0.82 TACR1 (0.52) TACR1MEN1CYP3A4MAPTTSHR

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