Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9023712

O=C(O)C(F)(F)F.OC1(c2ccccn2)CCNCC1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
CCR1 P32246 1/20 0.45
HSD11B1 P28845 2/20 0.43
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2D6 P10635 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 2/20 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
SCHEMBL171507 0.87 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL29602661 0.87 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1CCR1
Hydrochloric Acid SCHEMBL20744290 0.85 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CCR1
Hydrochloric Acid SCHEMBL30305364 0.85 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CCR1
Hydrochloric Acid SCHEMBL2224231 0.85 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CCR1
Formic Acid SCHEMBL3905110 0.82 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL9023716 0.76 TSHR (0.38) OPRM1HSD11B1ALDH1A1HPGDHSD17B10
SCHEMBL7426632 0.75 HSD11B1 (0.43) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL24455261 0.75 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1CCR1
Hydrochloric Acid SCHEMBL8353054 0.74 HSD11B1 (0.42) OPRM1OPRD1OPRK1OPRL1HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463810-B1 Heterocyclic compound and psychopharmaceutical composition containing same SUNTORY LTD (JP) 1996-01-10 EP disclosed
US-5158947-A CONDENSED HETEROCYCLIC COMPOUNDS AND PSYCHOPHARMACEUTICAL COMPOSITION CONTAINING SAME SUNTORY LIMITED (JP) 1992-10-27 US disclosed
EP-0463810-A1 Heterocyclic compound and psychopharmaceutical composition containing same SUNTORY LIMITED (JP) 1992-01-02 EP disclosed