SCHEMBL10692634

SCHEMBL10692634

O=c1[nH]c2ccccc2n1C1CCN(CC(O)c2ccc3c(c2)CCCS3)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.61
ADRA1D P25100 3/20 0.61
ADRA1B P35368 3/20 0.61
ADRB2 P07550 3/20 0.61
ADRB1 P08588 3/20 0.61
ADRB3 P13945 3/20 0.61
OPRL1 P41146 8/20 0.56
OPRM1 P35372 8/20 0.48
OPRK1 P41145 3/20 0.48
HTR7 P34969 1/20 0.48
PLD1 Q13393 1/20 0.48
CYP2D6 P10635 2/20 0.47
KCNH2 Q12809 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
SLC22A2 O15244 1/20 0.47
MLNR O43193 1/20 0.47
CACNA1G O43497 1/20 0.47
CACNA1F O60840 1/20 0.47
GMNN O75496 1/20 0.47

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
SCHEMBL10690442 0.84 OPRM1 (0.52) OPRL1OPRM1OPRK1PLD1OPRD1
SCHEMBL11031220 0.81 ADRA1A (0.69) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL11033786 0.80 OPRL1 (0.69) ADRA1AADRA1DADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL11032271 0.80 ADRA1A (0.80) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL10692072 0.78 OPRM1 (0.54) OPRL1OPRM1OPRK1PLD1OPRD1
SCHEMBL11032558 0.78 OPRM1 (0.70) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL11032634 0.78 ADRA1D (0.71) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL10692743 0.77 PLD1 (0.53) OPRL1OPRM1OPRK1PLD1OPRD1
SCHEMBL11428029 0.77 ADRA1A (0.83) ADRA1AADRA1DADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL11033995 0.77 ADRA1D (0.72) ADRA1AADRA1DADRA1BADRB2ADRB1

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-4791104-A HYPOTENSIVE, ANTILIPEMIC, ANTIHROMBOTIC, ANTIHYPOXIC AGENTS MAGGIONI-WINTHROP S.P.A. (IT) 1988-12-13 US disclosed