SCHEMBL9053345

SCHEMBL9053345

O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.85
TP53 P04637 1/20 0.85
CYP3A4 P08684 1/20 0.85
CYP2D6 P10635 1/20 0.85
PKM P14618 1/20 0.85
TSHR P16473 1/20 0.85
MAPK1 P28482 1/20 0.85
THPO P40225 1/20 0.85
MTOR P42345 1/20 0.85
EBP Q15125 1/20 0.85
SIGMAR1 Q99720 1/20 0.85
KDM4E B2RXH2 1/20 0.83
PMP22 Q01453 1/20 0.83
SMN1; SMN2 Q16637 1/20 0.83
DRD2 P14416 9/20 0.73
OPRM1 P35372 4/20 0.69
OPRL1 P41146 5/20 0.64
OPRD1 P41143 1/20 0.64
ADRA1A P35348 1/20 0.55

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
Trifluperidol SCHEMBL29710906 0.92 CYP3A4 (1.00) ABCB11TP53CYP3A4CYP2D6PKM
Trifluperidol SCHEMBL120862 0.92 CYP3A4 (1.00) ABCB11TP53CYP3A4CYP2D6PKM
Trifluperidol SCHEMBL14973483 0.91 PMP22 (1.00) ABCB11TP53CYP3A4CYP2D6PKM
Trifluperidol SCHEMBL316725 0.91 PMP22 (1.00) ABCB11TP53CYP3A4CYP2D6PKM
SCHEMBL9052747 0.88 DRD2 (0.82) ABCB11TP53CYP3A4CYP2D6PKM
Trifluperidol SCHEMBL28086762 0.86 ABCB11 (0.88) ABCB11TP53CYP3A4CYP2D6PKM
SCHEMBL9055953 0.86 DRD2 (0.78) ABCB11TP53CYP3A4CYP2D6PKM
SCHEMBL8986029 0.85 DRD2 (1.00) ABCB11CYP3A4CYP2D6TSHRTHPO
Trifluperidol SCHEMBL13724801 0.85 CYP3A4 (0.86) ABCB11TP53CYP3A4CYP2D6PKM
SCHEMBL9053073 0.84 DRD2 (0.80) ABCB11TP53CYP3A4CYP2D6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed
US-4065565-A Acylhydrazones and anti-psychotic compositions thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-12-27 US disclosed