SCHEMBL9729230

SCHEMBL9729230

O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3cccs3)CC12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
TACR1 P25103 3/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
CASP3 P42574 1/20 0.38

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 0.85 TACR1 (0.58) MEN1KMT2AMAPTTACR1TSHR
SCHEMBL9729849 0.85 TACR1 (0.58) MEN1KMT2AMAPTTACR1TSHR
SCHEMBL9729926 0.84 TACR1 (0.55) MEN1KMT2AMAPTTACR1TSHR
SCHEMBL9731812 0.82 TACR1 (0.48) MEN1KMT2AMAPTTACR1TSHR
SCHEMBL9729330 0.82 TACR1 (0.52) MEN1KMT2AMAPTTACR1TSHR
SCHEMBL9729456 0.81 TACR1 (0.59) MEN1KMT2AMAPTTACR1TSHR
SCHEMBL9730130 0.80 KMT2A (0.53) MEN1KMT2AMAPTTACR1TSHR
SCHEMBL9729686 0.80 TACR1 (0.58) MEN1KMT2AMAPTTACR1TSHR
SCHEMBL9730227 0.80 TACR1 (0.53) MEN1KMT2AMAPTTACR1TSHR
SCHEMBL9730246 0.80 TACR1 (0.58) MEN1KMT2AMAPTTACR1TSHR

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