SCHEMBL9729517

SCHEMBL9729517

N=C(Cc1ccccc1)N1CC2C(=O)CCC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
CYP3A4 P08684 1/20 0.71
MAPT P10636 1/20 0.71
TSHR P16473 1/20 0.71
CYP2C19 P33261 1/20 0.71
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
CRBN Q96SW2 1/20 0.32
POLB P06746 1/20 0.32
CXCR3 P49682 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
SCHEMBL9730595 0.87 TACR1 (0.58) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729849 0.87 TACR1 (0.58) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729500 0.86 TACR1 (0.57) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729671 0.83 TACR1 (0.62) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL4349316 0.83 TACR1 (1.00) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9731121 0.83 TACR1 (0.73) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL7551020 0.83 TACR1 (1.00) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL14434342 0.83 TACR1 (1.00) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL8460496 0.83 TACR1 (1.00) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729223 0.83 TACR1 (0.56) TACR1MEN1KMT2ACYP3A4MAPT

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