SCHEMBL9729329

SCHEMBL9729329

O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3ccccc3Cl)CC12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL9730130 0.89 KMT2A (0.53) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9729456 0.88 TACR1 (0.59) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9729234 0.87 TACR1 (0.61) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9729686 0.87 TACR1 (0.58) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9730246 0.87 TACR1 (0.58) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9729985 0.87 TACR1 (0.58) TACR1KMT2AMEN1CYP3A4MAPT
Hydrochloric Acid SCHEMBL9729778 0.86 TACR1 (0.57) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9729849 0.85 TACR1 (0.58) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9730595 0.85 TACR1 (0.58) TACR1KMT2AMEN1CYP3A4MAPT
SCHEMBL9729860 0.85 MEN1 (0.53) TACR1KMT2AMEN1CYP3A4MAPT

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