SCHEMBL9730357

SCHEMBL9730357

CN(C)c1cccc(F)c1CC(=O)N1CC2C(=O)CCC(c3ccccc3)(c3ccccc3)C2C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.54
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
OPRD1 P41143 6/20 0.36
OPRK1 P41145 6/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
OPRM1 P35372 3/20 0.33
RORC P51449 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL9730227 0.91 TACR1 (0.53) TACR1KMT2AMAPTMEN1CYP3A4
SCHEMBL9272085 0.86 TACR1 (0.68) TACR1KMT2AMAPTMEN1CYP3A4
SCHEMBL9373109 0.86 TACR1 (0.68) TACR1KMT2AMAPTMEN1CYP3A4
SCHEMBL9729135 0.83 TACR1 (0.55) TACR1KMT2AMAPTMEN1CYP3A4
SCHEMBL9729686 0.83 TACR1 (0.58) TACR1KMT2AMAPTMEN1CYP3A4
SCHEMBL9730542 0.82 TACR1 (0.59) TACR1KMT2AMAPTMEN1CYP3A4
Hydrochloric Acid SCHEMBL9730405 0.81 TACR1 (0.58) TACR1KMT2AMAPTMEN1CYP3A4
SCHEMBL9730453 0.81 TACR1 (0.57) TACR1KMT2AMAPTMEN1CYP3A4
SCHEMBL9730130 0.81 KMT2A (0.53) TACR1KMT2AMAPTMEN1CYP3A4
SCHEMBL9729331 0.80 TACR1 (0.68) TACR1KMT2AMAPTMEN1CYP3A4

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