SCHEMBL8503676

SCHEMBL8503676

CCCCc1c2c(cc(CNC(=O)c3ccccc3)c1N1CCC1)-c1ccccc1C2C(=O)NCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ PPARD Q03181 4/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PPARG P37231 4/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ SMYD2 Q9NRG4 1/20 0.31

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
SCHEMBL8668000 0.87 KMT2A (0.37) POLBDRD2DRD4DRD3ALDH1A1
SCHEMBL8501146 0.81 POLB (0.35) POLBDRD2DRD4DRD3
SCHEMBL8504394 0.79 MEN1 (0.37) POLBOPRM1
SCHEMBL8500999 0.79 CTSL (0.37) POLBDRD2DRD4DRD3ALDH1A1
SCHEMBL8593680 0.79 POLB (0.42) POLBDRD2DRD4DRD3ALDH1A1
SCHEMBL8501237 0.78 MTTP (0.36) POLBDRD2DRD4DRD3HPGD
SCHEMBL8593675 0.78 POLB (0.41) POLBDRD2DRD4DRD3ALDH1A1
SCHEMBL8667926 0.78 MEN1 (0.37) POLBOPRM1
SCHEMBL8523535 0.77 KMT2A (0.40) POLBALDH1A1HPGD
SCHEMBL8665881 0.77 DRD2 (0.37) POLBDRD2DRD4DRD3

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-5885983-A ANTICHOLESTEROL AGENTS, ANTILIPOLYTIC AGENTS, ANTILIPEMIC AGENTS FOR TREATING HYPERLIPEMIA, ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-23 — — US claimed
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