SCHEMBL9729942

SCHEMBL9729942

CN(C)c1ccc(CN=C(Cc2ccccc2)N2CC3C(=O)CCC(c4ccccc4)(c4ccccc4)C3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
OPRK1 P41145 3/20 0.33
OPRD1 P41143 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
EPHX2 P34913 1/20 0.31
CACNA1G O43497 2/20 0.31
CACNA1H O95180 2/20 0.31
CACNA1I Q9P0X4 2/20 0.31
OPRM1 P35372 2/20 0.31
OPRL1 P41146 1/20 0.31
NR3C1 P04150 1/20 0.30
CNR2 P34972 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
SCHEMBL9730197 0.92 TACR1 (0.53) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9730365 0.88 TACR1 (0.51) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9730899 0.88 TACR1 (0.55) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9730495 0.85 TACR1 (0.55) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9729350 0.83 TACR1 (0.53) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9729715 0.83 MEN1 (0.47) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9730461 0.83 TSHR (0.47) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9729223 0.83 TACR1 (0.56) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9730566 0.82 TACR1 (0.54) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9729691 0.82 TACR1 (0.53) TACR1KMT2AMEN1CYP3A4MAPT

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