SCHEMBL8504377

SCHEMBL8504377

CCCCc1c2c(cc(F)c1N1CC(NC(=O)c3ccccc3)C1)-c1cc(F)ccc1C2C(=O)NCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.34
▸ CCR3 P51677 2/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ MTTP P55157 1/20 0.32
▸ CACNA1G O43497 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SLC6A12 P48065 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ CHRM1 P11229 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL8668034 0.94 CCR3 (0.37) MCHR1CCR3DRD2DRD4TSHR
SCHEMBL8717803 0.93 CCR3 (0.40) MCHR1CCR3TSHRSLC6A12TMEM97
SCHEMBL8500944 0.84 MCHR1 (0.34) MCHR1CCR3DRD2DRD4MTTP
SCHEMBL8501237 0.81 MTTP (0.36) DRD2DRD4MTTPCHRM1MEN1
SCHEMBL8665214 0.80 MCHR1 (0.37) MCHR1CCR3DRD2DRD4SLC6A12
SCHEMBL8501050 0.79 MTTP (0.36) DRD2DRD4MTTPCHRM1MEN1
SCHEMBL8480060 0.79 CCR3 (0.40) MCHR1CCR3CYP2C9SLC6A12TMEM97
SCHEMBL8665881 0.77 DRD2 (0.37) MCHR1DRD2DRD4MTTPCHRM1
SCHEMBL8666097 0.75 DRD2 (0.36) MCHR1DRD2DRD4MTTPCHRM1
SCHEMBL8668000 0.75 KMT2A (0.37) DRD2DRD4CNR2CYP1A2CYP2C9

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 disclosed
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