SCHEMBL9729330

SCHEMBL9729330

O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3ccsc3)CC12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.52
CYP2C19 P33261 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
POLB P06746 1/20 0.36
CCR5 P51681 1/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
P2RX7 Q99572 1/20 0.34
OPRM1 P35372 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33

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 0.88 TACR1 (0.58) TACR1CYP2C19MAPTMEN1CYP3A4
SCHEMBL9729849 0.88 TACR1 (0.58) TACR1CYP2C19MAPTMEN1CYP3A4
SCHEMBL9729860 0.83 MEN1 (0.53) TACR1CYP2C19MAPTMEN1CYP3A4
SCHEMBL9730103 0.83 MAPT (0.56) TACR1CYP2C19MAPTMEN1CYP3A4
SCHEMBL9729230 0.82 MEN1 (0.52) TACR1CYP2C19MAPTMEN1CYP3A4
SCHEMBL9729926 0.81 TACR1 (0.55) TACR1CYP2C19MAPTMEN1CYP3A4
SCHEMBL9729215 0.81 TACR1 (0.51) TACR1CYP2C19MAPTMEN1CYP3A4
SCHEMBL9730176 0.81 TACR1 (0.53) TACR1CYP2C19MAPTMEN1CYP3A4
SCHEMBL9730167 0.81 MEN1 (0.51) TACR1CYP2C19MAPTMEN1CYP3A4
SCHEMBL9729456 0.80 TACR1 (0.59) TACR1CYP2C19MAPTMEN1CYP3A4

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