SCHEMBL8908435

SCHEMBL8908435

CC(C)(C)OC(=O)N1CCN(C(COCc2ccccc2)c2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.56
P2RX7 Q99572 1/20 0.46
GRM5 P41594 1/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCB1 P08183 1/20 0.43

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
SCHEMBL8471223 0.84 ALDH1A1 (0.44) TACR1MEN1KMT2AABCB1
SCHEMBL8470525 0.81 NPC1 (0.46) MEN1KMT2A
SCHEMBL8473073 0.80 TACR1 (0.43) TACR1MEN1KMT2AABCB1
SCHEMBL27641789 0.78 MEN1 (0.46) P2RX7TP53MEN1KMT2AABCB1
SCHEMBL7985622 0.77 GAA (0.50) TACR1MEN1KMT2AABCB1
SCHEMBL5410711 0.77 ATM (0.50) TACR1MEN1KMT2AABCB1
SCHEMBL31023808 0.76 MGLL (0.55) MEN1KMT2A
SCHEMBL8473076 0.76 ALDH1A1 (0.43) MEN1KMT2A
SCHEMBL8473443 0.76 TACR1 (0.76) TACR1
SCHEMBL5183732 0.76 MEN1 (0.49) MEN1KMT2AABCB1

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
WO-1997017338-A1 SUBSTITUTED 1-INDOLYLPROPYL-4-BENZYLPIPERAZINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-15 WO disclosed