Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL27787272

CCCC(=O)NC1CCN(c2ccc3cc(OCc4ccccc4)ccc3c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 3/20 0.50
▸ MTNR1A P48039 2/20 0.48
▸ MTNR1B P49286 2/20 0.48
▸ ME3 Q16798 1/20 0.47
▸ SLC6A5 Q9Y345 4/20 0.44
▸ HPGD P15428 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAOB P27338 2/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27787064 0.82 MTNR1A (0.52) CHRM4MTNR1AMTNR1BME3HPGD
Trifluoroacetic Acid SCHEMBL27808896 0.81 MTNR1A (0.55) CHRM4MTNR1AMTNR1BME3NAMPT
SCHEMBL27787056 0.81 ME3 (0.47) MTNR1AMTNR1BME3MAOB
SCHEMBL7898002 0.76 ME3 (0.76) CHRM4ME3HTTRAB9AMAOB
SCHEMBL7899165 0.75 ME3 (0.58) CHRM4ME3HPGDHTTRAB9A
SCHEMBL9936379 0.74 NPC1 (0.57) RAB9A
SCHEMBL3637427 0.74 MTNR1A (0.61) CHRM4MTNR1AMTNR1BME3RAB9A
SCHEMBL17061423 0.72 F10 (0.46) ME3SLC6A5HPGDHTTMAOB
SCHEMBL32665202 0.72 CKS1B (0.52) CHRM4ME3HPGDHTTMAOB
SCHEMBL12321963 0.71 CKS1B (0.53) CHRM4ME3SLC6A5HTTRAB9A

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
CN-101796027-A N-piperidin-4-ylmethyl-amide derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS 2010-08-04 — — CN disclosed
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