SCHEMBL16565576

SCHEMBL16565576

OC1(c2ccccc2)CCCNCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.56
OPRM1 P35372 7/20 0.53
OPRL1 P41146 8/20 0.46
OPRK1 P41145 5/20 0.46
HTR2A P28223 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
OPRD1 P41143 3/20 0.42
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
TACR1 P25103 1/20 0.39
HSD11B1 P28845 1/20 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
SCHEMBL306026 0.92 DRD2 (0.64) DRD2OPRM1OPRL1OPRK1HTR2A
Hydrochloric Acid SCHEMBL5729965 0.90 DRD2 (0.62) DRD2OPRM1OPRL1OPRK1HTR2A
Ethane SCHEMBL11603328 0.88 DRD2 (0.60) DRD2OPRM1OPRL1OPRK1HTR2A
SCHEMBL15093858 0.85 HTR2A (0.50) DRD2OPRM1OPRL1OPRK1HTR2A
SCHEMBL15093618 0.85 HTR2A (0.50) DRD2OPRM1OPRL1OPRK1HTR2A
SCHEMBL1764933 0.85 HTR2A (0.50) DRD2OPRM1OPRL1OPRK1HTR2A
Hydrochloric Acid SCHEMBL10754178 0.83 HTR2A (0.48) DRD2OPRM1OPRL1OPRK1HTR2A
Bromide SCHEMBL7252604 0.83 HTR2A (0.48) DRD2OPRM1OPRL1OPRK1HTR2A
SCHEMBL654604 0.81 DRD2 (0.86) DRD2OPRM1OPRL1OPRK1OPRD1
SCHEMBL31322237 0.81 DRD2 (0.58) DRD2OPRM1OPRL1OPRK1HTR2A

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
US-20250140352-A1 SIMPLIFIED COMPOUND IDENTIFICATION DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2025-05-01 US disclosed
WO-2015032286-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2015-03-12 WO disclosed