SCHEMBL9729215

SCHEMBL9729215

O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3cccnc3)CC12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
NAPRT Q6XQN6 1/20 0.40
RORC P51449 1/20 0.39
PAX8 Q06710 1/20 0.39
NAMPT P43490 1/20 0.38
SIGMAR1 Q99720 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 0.90 TACR1 (0.58) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729849 0.90 TACR1 (0.58) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729715 0.84 MEN1 (0.47) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9730103 0.82 MAPT (0.56) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729860 0.82 MEN1 (0.53) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9730176 0.82 TACR1 (0.53) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9730167 0.82 MEN1 (0.51) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729808 0.82 TACR1 (0.52) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729330 0.81 TACR1 (0.52) TACR1MEN1KMT2ACYP3A4MAPT
SCHEMBL9729490 0.80 TACR1 (0.48) 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 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