SCHEMBL9729540

SCHEMBL9729540

O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(Cc3ccccc3)=NC(c3ccccc3)c3ccccc3)CC12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9729223 0.85 TACR1 (0.56) TACR1TSHRMEN1CYP3A4MAPT
SCHEMBL9730197 0.85 TACR1 (0.53) TACR1TSHRMEN1CYP3A4MAPT
SCHEMBL9730495 0.84 TACR1 (0.55) TACR1TSHRMEN1CYP3A4MAPT
SCHEMBL9730151 0.83 TACR1 (0.52) TACR1TSHRMEN1CYP3A4MAPT
Iodide SCHEMBL9729835 0.82 TACR1 (0.52) TACR1TSHRMEN1CYP3A4MAPT
SCHEMBL9729350 0.82 TACR1 (0.53) TACR1TSHRMEN1CYP3A4MAPT
SCHEMBL9729555 0.81 TACR1 (0.50) TACR1TSHRMEN1CYP3A4MAPT
SCHEMBL9729441 0.81 TACR1 (0.52) TACR1TSHRMEN1CYP3A4MAPT
SCHEMBL9730595 0.81 TACR1 (0.58) TACR1TSHRMEN1CYP3A4MAPT
SCHEMBL9729849 0.81 TACR1 (0.58) TACR1TSHRMEN1CYP3A4MAPT

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