SCHEMBL9729849

SCHEMBL9729849

O=C1CCC(c2ccccc2)(c2ccccc2)[C@@H]2CN(C(=O)Cc3ccccc3)C[C@H]12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TSHR P16473 2/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C19 P33261 1/20 0.58
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
CCR5 P51681 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TACR3 P29371 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
POLB P06746 1/20 0.41
CRBN Q96SW2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL9730595 1.00 TACR1 (0.58) TACR1MEN1KMT2ATSHRCYP3A4
SCHEMBL9729860 0.92 MEN1 (0.53) TACR1MEN1KMT2ATSHRCYP3A4
SCHEMBL9730103 0.92 MAPT (0.56) TACR1MEN1KMT2ATSHRCYP3A4
SCHEMBL9730126 0.90 TACR1 (0.51) TACR1MEN1KMT2ATSHRCYP3A4
SCHEMBL9729490 0.90 TACR1 (0.48) TACR1MEN1KMT2ATSHRCYP3A4
SCHEMBL9730188 0.90 MAPT (0.48) TACR1MEN1KMT2ATSHRCYP3A4
SCHEMBL9729215 0.90 TACR1 (0.51) TACR1MEN1KMT2ATSHRCYP3A4
SCHEMBL9730176 0.90 TACR1 (0.53) TACR1MEN1KMT2ATSHRCYP3A4
SCHEMBL9730167 0.90 MEN1 (0.51) TACR1MEN1KMT2ATSHRCYP3A4
SCHEMBL9729330 0.88 TACR1 (0.52) TACR1MEN1KMT2ATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112988-A ISOINDOLONE DERIVATIVES RHONE-POULENC SANTE (FR) 1992-05-12 US disclosed
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed